4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

C23H23ClN2O3S2 — CID 92679565

IUPAC4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccc(CSCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C23H23ClN2O3S2/c1-17-7-9-18(10-8-17)16-30-14-13-25-23(27)21-12-11-19(15-22(21)24)26-31(28,29)20-5-3-2-4-6-20/h2-12,15,26H,13-14,16H2,1H3,(H,25,27)
InChIKeyDMTOYNCALMKBPD-UHFFFAOYSA-N
MW475.04 g/mol
LogP5.11
Rot. Bonds9

About 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 92679565) has the molecular formula C23H23ClN2O3S2 and a molecular weight of 475.04 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID92679565
Molecular FormulaC23H23ClN2O3S2
Molecular Weight475.04 g/mol
Exact Mass474.08
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccc(CSCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C23H23ClN2O3S2/c1-17-7-9-18(10-8-17)16-30-14-13-25-23(27)21-12-11-19(15-22(21)24)26-31(28,29)20-5-3-2-4-6-20/h2-12,15,26H,13-14,16H2,1H3,(H,25,27)
InChIKeyDMTOYNCALMKBPD-UHFFFAOYSA-N
XLogP5.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
CID 30400846
4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 46762901
2-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28631759
N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30398696
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412821
4-(benzenesulfonamido)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 39548091
4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414764
4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46772538
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-nitrobenzamide
CID 27990967
N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (CID 92679565) is 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is Cc1ccc(CSCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is DMTOYNCALMKBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S2/c1-17-7-9-18(10-8-17)16-30-14-13-25-23(27)21-12-11-19(15-22(21)24)26-31(28,29)20-5-3-2-4-6-20/h2-12,15,26H,13-14,16H2,1H3,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 475.04 g/mol, XLogP of 5.11, 9 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-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 92679565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).