N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide

C106H98Cl4F3N8O21S7+ — CID 158709284

IUPACN-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+](O)cc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccc2)cc1
InChIInChI=1S/C22H19F3N2O4S.C21H19ClN2O5S.C21H19ClN2O4S.C21H20ClNO5S2.C21H20ClNO3S2/c1-14(2)31-17-4-6-18(7-5-17)32(29,30)27-20-8-3-16(22(23,24)25)13-19(20)21(28)15-9-11-26-12-10-15;1-14(2)29-17-4-6-18(7-5-17)30(27,28)23-20-8-3-16(22)13-19(20)21(25)15-9-11-24(26)12-10-15;1-14(2)28-17-4-6-18(7-5-17)29(26,27)24-20-8-3-16(22)13-19(20)21(25)15-9-11-23-12-10-15;1-15(2)28-17-9-11-19(12-10-17)30(26,27)23-20-13-8-16(22)14-21(20)29(24,25)18-6-4-3-5-7-18;1-15(2)26-17-9-11-19(12-10-17)28(24,25)23-20-13-8-16(22)14-21(20)27-18-6-4-3-5-7-18/h3-14,27H,1-2H3;3-14H,1-2H3,(H-,23,25,26);3-14,24H,1-2H3;3-15,23H,1-2H3;3-15,23H,1-2H3/p+1
InChIKeyIINBJQHPYCZBLA-UHFFFAOYSA-O
MW2243.26 g/mol
LogP24.00
Rot. Bonds35

About N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide

N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 158709284) has the molecular formula C106H98Cl4F3N8O21S7+ and a molecular weight of 2243.26 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID158709284
Molecular FormulaC106H98Cl4F3N8O21S7+
Molecular Weight2243.26 g/mol
Exact Mass2239.36
IUPAC NameN-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+](O)cc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccc2)cc1
InChIInChI=1S/C22H19F3N2O4S.C21H19ClN2O5S.C21H19ClN2O4S.C21H20ClNO5S2.C21H20ClNO3S2/c1-14(2)31-17-4-6-18(7-5-17)32(29,30)27-20-8-3-16(22(23,24)25)13-19(20)21(28)15-9-11-26-12-10-15;1-14(2)29-17-4-6-18(7-5-17)30(27,28)23-20-8-3-16(22)13-19(20)21(25)15-9-11-24(26)12-10-15;1-14(2)28-17-4-6-18(7-5-17)29(26,27)24-20-8-3-16(22)13-19(20)21(25)15-9-11-23-12-10-15;1-15(2)28-17-9-11-19(12-10-17)30(26,27)23-20-13-8-16(22)14-21(20)29(24,25)18-6-4-3-5-7-18;1-15(2)26-17-9-11-19(12-10-17)28(24,25)23-20-13-8-16(22)14-21(20)27-18-6-4-3-5-7-18/h3-14,27H,1-2H3;3-14H,1-2H3,(H-,23,25,26);3-14,24H,1-2H3;3-15,23H,1-2H3;3-15,23H,1-2H3/p+1
InChIKeyIINBJQHPYCZBLA-UHFFFAOYSA-O
XLogP24.00
TPSA412.24 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.26
LogP ≤ 524.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 158709284) is N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+](O)cc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccc2)cc1.
What is the InChIKey of N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is IINBJQHPYCZBLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19F3N2O4S.C21H19ClN2O5S.C21H19ClN2O4S.C21H20ClNO5S2.C21H20ClNO3S2/c1-14(2)31-17-4-6-18(7-5-17)32(29,30)27-20-8-3-16(22(23,24)25)13-19(20)21(28)15-9-11-26-12-10-15;1-14(2)29-17-4-6-18(7-5-17)30(27,28)23-20-8-3-16(22)13-19(20)21(25)15-9-11-24(26)12-10-15;1-14(2)28-17-4-6-18(7-5-17)29(26,27)24-20-8-3-16(22)13-19(20)21(25)15-9-11-23-12-10-15;1-15(2)28-17-9-11-19(12-10-17)30(26,27)23-20-13-8-16(22)14-21(20)29(24,25)18-6-4-3-5-7-18;1-15(2)26-17-9-11-19(12-10-17)28(24,25)23-20-13-8-16(22)14-21(20)27-18-6-4-3-5-7-18/h3-14,27H,1-2H3;3-14H,1-2H3,(H-,23,25,26);3-14,24H,1-2H3;3-15,23H,1-2H3;3-15,23H,1-2H3/p+1.
What are the key properties of N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 2243.26 g/mol, XLogP of 24.00, 35 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 158709284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).