N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C21H19ClN2O4S — CID 55347676

IUPACN-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-14-6-7-17(13-20(14)22)23-21(25)15-4-3-5-19(12-15)29(26,27)24-16-8-10-18(28-2)11-9-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyAYNUVEQPSSLSRN-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.71
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 55347676) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID55347676
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-14-6-7-17(13-20(14)22)23-21(25)15-4-3-5-19(12-15)29(26,27)24-16-8-10-18(28-2)11-9-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyAYNUVEQPSSLSRN-UHFFFAOYSA-N
XLogP4.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 27678550
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 55347676) is N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is AYNUVEQPSSLSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-14-6-7-17(13-20(14)22)23-21(25)15-4-3-5-19(12-15)29(26,27)24-16-8-10-18(28-2)11-9-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 430.91 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55347676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).