4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide

C19H14Cl3NO4S2 — CID 4277205

IUPAC4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide
SMILESCc1c(Cl)cccc1N(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3NO4S2/c1-13-18(22)3-2-4-19(13)23(28(24,25)16-9-5-14(20)6-10-16)29(26,27)17-11-7-15(21)8-12-17/h2-12H,1H3
InChIKeyRWZWOLKJZMDUJK-UHFFFAOYSA-N
MW490.82 g/mol
LogP5.54
Rot. Bonds5

About 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide

4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide (PubChem CID 4277205) has the molecular formula C19H14Cl3NO4S2 and a molecular weight of 490.82 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide
PubChem CID4277205
Molecular FormulaC19H14Cl3NO4S2
Molecular Weight490.82 g/mol
Exact Mass488.94
IUPAC Name4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide
SMILESCc1c(Cl)cccc1N(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3NO4S2/c1-13-18(22)3-2-4-19(13)23(28(24,25)16-9-5-14(20)6-10-16)29(26,27)17-11-7-15(21)8-12-17/h2-12H,1H3
InChIKeyRWZWOLKJZMDUJK-UHFFFAOYSA-N
XLogP5.54
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 100517862
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetic acid
CID 50895830
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
CID 50895334
(2S)-3-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]propanoic acid
CID 100556144
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
N-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-4-methylbenzenesulfonamide
CID 126386482
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
CID 101290802
N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate
CID 57373992
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43894911
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide (CID 4277205) is 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide is Cc1c(Cl)cccc1N(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide?
The InChIKey is RWZWOLKJZMDUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO4S2/c1-13-18(22)3-2-4-19(13)23(28(24,25)16-9-5-14(20)6-10-16)29(26,27)17-11-7-15(21)8-12-17/h2-12H,1H3.
What are the key properties of 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide?
4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide has a molecular weight of 490.82 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 4277205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).