N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide

C20H17ClN2O3S — CID 47784348

IUPACN-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-23(20(24)15-7-9-16(21)10-8-15)18-13-11-17(12-14-18)22-27(25,26)19-5-3-2-4-6-19/h2-14,22H,1H3
InChIKeyWIKGRRPMQYWJEH-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.42
Rot. Bonds5

About N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide

N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide (PubChem CID 47784348) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide
PubChem CID47784348
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-23(20(24)15-7-9-16(21)10-8-15)18-13-11-17(12-14-18)22-27(25,26)19-5-3-2-4-6-19/h2-14,22H,1H3
InChIKeyWIKGRRPMQYWJEH-UHFFFAOYSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109065745
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109061726
4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 24615549

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide?
The IUPAC name of N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide (CID 47784348) is N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide?
The InChIKey is WIKGRRPMQYWJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-23(20(24)15-7-9-16(21)10-8-15)18-13-11-17(12-14-18)22-27(25,26)19-5-3-2-4-6-19/h2-14,22H,1H3.
What are the key properties of N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide?
N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide has a molecular weight of 400.89 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 47784348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).