4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

C27H23ClN2O3S2 — CID 28564551

IUPAC4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C27H23ClN2O3S2/c1-19-16-20(18-34-22-8-4-2-5-9-22)12-15-26(19)29-27(31)24-14-13-21(17-25(24)28)30-35(32,33)23-10-6-3-7-11-23/h2-17,30H,18H2,1H3,(H,29,31)
InChIKeyKHYHNWLTNDSGEQ-UHFFFAOYSA-N
MW523.08 g/mol
LogP6.99
Rot. Bonds8

About 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 28564551) has the molecular formula C27H23ClN2O3S2 and a molecular weight of 523.08 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID28564551
Molecular FormulaC27H23ClN2O3S2
Molecular Weight523.08 g/mol
Exact Mass522.08
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C27H23ClN2O3S2/c1-19-16-20(18-34-22-8-4-2-5-9-22)12-15-26(19)29-27(31)24-14-13-21(17-25(24)28)30-35(32,33)23-10-6-3-7-11-23/h2-17,30H,18H2,1H3,(H,29,31)
InChIKeyKHYHNWLTNDSGEQ-UHFFFAOYSA-N
XLogP6.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.08
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 30396065
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126417075
2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2981252
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 99949514
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28567614
2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 1019179
2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 3419820
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 43881989

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (CID 28564551) is 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is KHYHNWLTNDSGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O3S2/c1-19-16-20(18-34-22-8-4-2-5-9-22)12-15-26(19)29-27(31)24-14-13-21(17-25(24)28)30-35(32,33)23-10-6-3-7-11-23/h2-17,30H,18H2,1H3,(H,29,31).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 523.08 g/mol, XLogP of 6.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 28564551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).