(2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide

C119H100Cl6FIN8O19S5 — CID 173111623

IUPAC(2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide
SMILESCC(C)Oc1ccc(S(N)(=O)=O)c(-c2ccc(I)cc2C(=O)c2ccccc2)c1.CC(C)c1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2cccc(Cl)c2)c1.CCN(CC)c1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2ccccc2)c1.Cc1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2cccc(F)c2)c1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(Cl)cc1C(=O)c1ccccc1.Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H23ClN2O3S.C22H19Cl2NO3S.C22H20INO4S.C20H15ClFNO3S.C19H13ClN2O5S.C13H10ClNO/c1-3-26(4-2)18-11-13-22(30(25,28)29)20(15-18)19-12-10-17(24)14-21(19)23(27)16-8-6-5-7-9-16;1-13(2)14-6-9-21(29(25,27)28)19(11-14)18-8-7-17(24)12-20(18)22(26)15-4-3-5-16(23)10-15;1-14(2)28-17-9-11-21(29(24,26)27)19(13-17)18-10-8-16(23)12-20(18)22(25)15-6-4-3-5-7-15;1-12-5-8-19(27(23,25)26)17(9-12)16-7-6-14(21)11-18(16)20(24)13-3-2-4-15(22)10-13;20-13-6-8-15(17(10-13)19(23)12-4-2-1-3-5-12)16-11-14(22(24)25)7-9-18(16)28(21,26)27;14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h5-15H,3-4H2,1-2H3,(H2,25,28,29);3-13H,1-2H3,(H2,25,27,28);3-14H,1-2H3,(H2,24,26,27);2-11H,1H3,(H2,23,25,26);1-11H,(H2,21,26,27);1-8H,15H2
InChIKeyLOVSDRPHKNLALL-UHFFFAOYSA-N
MW2465.10 g/mol
LogP26.30
Rot. Bonds29

About (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide

(2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 173111623) has the molecular formula C119H100Cl6FIN8O19S5 and a molecular weight of 2465.10 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID173111623
Molecular FormulaC119H100Cl6FIN8O19S5
Molecular Weight2465.10 g/mol
Exact Mass2460.29
IUPAC Name(2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide
SMILESCC(C)Oc1ccc(S(N)(=O)=O)c(-c2ccc(I)cc2C(=O)c2ccccc2)c1.CC(C)c1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2cccc(Cl)c2)c1.CCN(CC)c1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2ccccc2)c1.Cc1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2cccc(F)c2)c1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(Cl)cc1C(=O)c1ccccc1.Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H23ClN2O3S.C22H19Cl2NO3S.C22H20INO4S.C20H15ClFNO3S.C19H13ClN2O5S.C13H10ClNO/c1-3-26(4-2)18-11-13-22(30(25,28)29)20(15-18)19-12-10-17(24)14-21(19)23(27)16-8-6-5-7-9-16;1-13(2)14-6-9-21(29(25,27)28)19(11-14)18-8-7-17(24)12-20(18)22(26)15-4-3-5-16(23)10-15;1-14(2)28-17-9-11-21(29(24,26)27)19(13-17)18-10-8-16(23)12-20(18)22(25)15-6-4-3-5-7-15;1-12-5-8-19(27(23,25)26)17(9-12)16-7-6-14(21)11-18(16)20(24)13-3-2-4-15(22)10-13;20-13-6-8-15(17(10-13)19(23)12-4-2-1-3-5-12)16-11-14(22(24)25)7-9-18(16)28(21,26)27;14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h5-15H,3-4H2,1-2H3,(H2,25,28,29);3-13H,1-2H3,(H2,25,27,28);3-14H,1-2H3,(H2,24,26,27);2-11H,1H3,(H2,23,25,26);1-11H,(H2,21,26,27);1-8H,15H2
InChIKeyLOVSDRPHKNLALL-UHFFFAOYSA-N
XLogP26.30
TPSA484.85 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.10
LogP ≤ 526.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane
CID 157175139
2-[(N-ethyl-3-fluoroanilino)methyl]-4-nitroaniline
CID 62208380
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322
N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 10073118
1-bromo-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,3-difluoro-5-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-nitro-4-propan-2-ylbenzene
CID 159206758
2-[2-(N-ethyl-4-nitroanilino)ethyl]-4-methylbenzenesulfonic acid
CID 87484487
N-ethyl-2-methyl-5-nitro-N-(4-propan-2-yloxyphenyl)benzenesulfonamide
CID 100540982
methyl 3-[(2-benzoyl-4-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 1279650
ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate
CID 58962617
N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-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;4-propyl-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 158452762
[2-[[butan-2-yl-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl] methanesulfonate
CID 42812112

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide (CID 173111623) is (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide is CC(C)Oc1ccc(S(N)(=O)=O)c(-c2ccc(I)cc2C(=O)c2ccccc2)c1.CC(C)c1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2cccc(Cl)c2)c1.CCN(CC)c1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2ccccc2)c1.Cc1ccc(S(N)(=O)=O)c(-c2ccc(Cl)cc2C(=O)c2cccc(F)c2)c1.NS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1ccc(Cl)cc1C(=O)c1ccccc1.Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is LOVSDRPHKNLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S.C22H19Cl2NO3S.C22H20INO4S.C20H15ClFNO3S.C19H13ClN2O5S.C13H10ClNO/c1-3-26(4-2)18-11-13-22(30(25,28)29)20(15-18)19-12-10-17(24)14-21(19)23(27)16-8-6-5-7-9-16;1-13(2)14-6-9-21(29(25,27)28)19(11-14)18-8-7-17(24)12-20(18)22(26)15-4-3-5-16(23)10-15;1-14(2)28-17-9-11-21(29(24,26)27)19(13-17)18-10-8-16(23)12-20(18)22(25)15-6-4-3-5-7-15;1-12-5-8-19(27(23,25)26)17(9-12)16-7-6-14(21)11-18(16)20(24)13-3-2-4-15(22)10-13;20-13-6-8-15(17(10-13)19(23)12-4-2-1-3-5-12)16-11-14(22(24)25)7-9-18(16)28(21,26)27;14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h5-15H,3-4H2,1-2H3,(H2,25,28,29);3-13H,1-2H3,(H2,25,27,28);3-14H,1-2H3,(H2,24,26,27);2-11H,1H3,(H2,23,25,26);1-11H,(H2,21,26,27);1-8H,15H2.
What are the key properties of (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide?
(2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 2465.10 g/mol, XLogP of 26.30, 29 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-phenylmethanone;2-(2-benzoyl-4-chlorophenyl)-4-(diethylamino)benzenesulfonamide;2-(2-benzoyl-4-chlorophenyl)-4-nitrobenzenesulfonamide;2-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;2-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-ylbenzenesulfonamide;2-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 173111623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).