N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide

C149H136Cl7F3N14O26S10 — CID 161224470

IUPACN-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Nc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H23ClN2O3S.C22H18ClF3N2O4S.C21H20ClN3O3S.C21H17ClN2O3S.C21H20ClNO4S2.C20H19ClN2O5S2.C20H19ClN2O4S2/c25-20-15-22(23(28)19-9-5-2-6-10-19)24(26-16-20)27-31(29,30)21-13-11-18(12-14-21)17-7-3-1-4-8-17;1-13(2)32-16-4-6-17(7-5-16)33(30,31)28-19-8-3-15(23)12-18(19)21(29)14-9-10-27-20(11-14)22(24,25)26;1-14(2)24-17-8-10-18(11-9-17)29(27,28)25-21-19(12-16(22)13-23-21)20(26)15-6-4-3-5-7-15;22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14;1-15(2)27-17-9-11-19(12-10-17)29(25,26)23-20-13-8-16(22)14-21(20)28(24)18-6-4-3-5-7-18;1-14(2)28-16-8-10-18(11-9-16)30(26,27)23-20-19(12-15(21)13-22-20)29(24,25)17-6-4-3-5-7-17;1-14(2)27-16-8-10-18(11-9-16)29(25,26)23-20-19(12-15(21)13-22-20)28(24)17-6-4-3-5-7-17/h2,5-6,9-17H,1,3-4,7-8H2,(H,26,27);3-13,28H,1-2H3;3-14,24H,1-2H3,(H,23,25);1-5,8-14H,6-7H2,(H,23,24);3-15,23H,1-2H3;3-14H,1-2H3,(H,22,23);3-14H,1-2H3,(H,22,23)
InChIKeyUXYAVVJFVBTRCJ-UHFFFAOYSA-N
MW3164.63 g/mol
LogP34.36
Rot. Bonds47

About N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide

N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 161224470) has the molecular formula C149H136Cl7F3N14O26S10 and a molecular weight of 3164.63 g/mol. Its IUPAC name is N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID161224470
Molecular FormulaC149H136Cl7F3N14O26S10
Molecular Weight3164.63 g/mol
Exact Mass3158.47
IUPAC NameN-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Nc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H23ClN2O3S.C22H18ClF3N2O4S.C21H20ClN3O3S.C21H17ClN2O3S.C21H20ClNO4S2.C20H19ClN2O5S2.C20H19ClN2O4S2/c25-20-15-22(23(28)19-9-5-2-6-10-19)24(26-16-20)27-31(29,30)21-13-11-18(12-14-21)17-7-3-1-4-8-17;1-13(2)32-16-4-6-17(7-5-16)33(30,31)28-19-8-3-15(23)12-18(19)21(29)14-9-10-27-20(11-14)22(24,25)26;1-14(2)24-17-8-10-18(11-9-17)29(27,28)25-21-19(12-16(22)13-23-21)20(26)15-6-4-3-5-7-15;22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14;1-15(2)27-17-9-11-19(12-10-17)29(25,26)23-20-13-8-16(22)14-21(20)28(24)18-6-4-3-5-7-18;1-14(2)28-16-8-10-18(11-9-16)30(26,27)23-20-19(12-15(21)13-22-20)29(24,25)17-6-4-3-5-7-17;1-14(2)27-16-8-10-18(11-9-16)29(25,26)23-20-19(12-15(21)13-22-20)28(24)17-6-4-3-5-7-17/h2,5-6,9-17H,1,3-4,7-8H2,(H,26,27);3-13,28H,1-2H3;3-14,24H,1-2H3,(H,23,25);1-5,8-14H,6-7H2,(H,23,24);3-15,23H,1-2H3;3-14H,1-2H3,(H,22,23);3-14H,1-2H3,(H,22,23)
InChIKeyUXYAVVJFVBTRCJ-UHFFFAOYSA-N
XLogP34.36
TPSA586.04 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds47
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003164.63
LogP ≤ 534.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide (CID 161224470) is N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Nc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is UXYAVVJFVBTRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S.C22H18ClF3N2O4S.C21H20ClN3O3S.C21H17ClN2O3S.C21H20ClNO4S2.C20H19ClN2O5S2.C20H19ClN2O4S2/c25-20-15-22(23(28)19-9-5-2-6-10-19)24(26-16-20)27-31(29,30)21-13-11-18(12-14-21)17-7-3-1-4-8-17;1-13(2)32-16-4-6-17(7-5-16)33(30,31)28-19-8-3-15(23)12-18(19)21(29)14-9-10-27-20(11-14)22(24,25)26;1-14(2)24-17-8-10-18(11-9-17)29(27,28)25-21-19(12-16(22)13-23-21)20(26)15-6-4-3-5-7-15;22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14;1-15(2)27-17-9-11-19(12-10-17)29(25,26)23-20-13-8-16(22)14-21(20)28(24)18-6-4-3-5-7-18;1-14(2)28-16-8-10-18(11-9-16)30(26,27)23-20-19(12-15(21)13-22-20)29(24,25)17-6-4-3-5-7-17;1-14(2)27-16-8-10-18(11-9-16)29(25,26)23-20-19(12-15(21)13-22-20)28(24)17-6-4-3-5-7-17/h2,5-6,9-17H,1,3-4,7-8H2,(H,26,27);3-13,28H,1-2H3;3-14,24H,1-2H3,(H,23,25);1-5,8-14H,6-7H2,(H,23,24);3-15,23H,1-2H3;3-14H,1-2H3,(H,22,23);3-14H,1-2H3,(H,22,23).
What are the key properties of N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide?
N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 3164.63 g/mol, XLogP of 34.36, 47 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-(propan-2-ylamino)benzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 161224470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).