4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide

C20H17ClN2O3S — CID 43910172

IUPAC4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-7-9-15(10-8-14)22-20(24)18-12-11-16(13-19(18)21)23-27(25,26)17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24)
InChIKeyYSFWBNNYZBGREV-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.70
Rot. Bonds5

About 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide

4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide (PubChem CID 43910172) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
PubChem CID43910172
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-7-9-15(10-8-14)22-20(24)18-12-11-16(13-19(18)21)23-27(25,26)17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24)
InChIKeyYSFWBNNYZBGREV-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

4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide (CID 43910172) is 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide?
The InChIKey is YSFWBNNYZBGREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-14-7-9-15(10-8-14)22-20(24)18-12-11-16(13-19(18)21)23-27(25,26)17-5-3-2-4-6-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide?
4-(benzenesulfonamido)-2-chloro-N-(4-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 4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 43910172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).