5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide

C20H17ClN2O3S — CID 99954577

IUPAC5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C20H17ClN2O3S/c1-14-6-5-7-15(12-14)22-20(24)18-13-16(10-11-19(18)21)23-27(25,26)17-8-3-2-4-9-17/h2-13,23H,1H3,(H,22,24)
InChIKeyHTHRPJLNORRFSR-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.70
Rot. Bonds5

About 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide

5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide (PubChem CID 99954577) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
PubChem CID99954577
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C20H17ClN2O3S/c1-14-6-5-7-15(12-14)22-20(24)18-13-16(10-11-19(18)21)23-27(25,26)17-8-3-2-4-9-17/h2-13,23H,1H3,(H,22,24)
InChIKeyHTHRPJLNORRFSR-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
N-[3-(benzenesulfonamido)phenyl]-2,3-dichlorobenzamide
CID 46474289
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide (CID 99954577) is 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide?
The InChIKey is HTHRPJLNORRFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-14-6-5-7-15(12-14)22-20(24)18-13-16(10-11-19(18)21)23-27(25,26)17-8-3-2-4-9-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide?
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide has a molecular weight of 400.89 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 99954577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).