N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide

C15H15ClN2O4S — CID 36862429

IUPACN-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C15H15ClN2O4S/c1-9-11(16)4-3-5-12(9)18-15(19)10-6-7-13(22-2)14(8-10)23(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyQWFRSIUPYPWMNM-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.56
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide

N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide (PubChem CID 36862429) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
PubChem CID36862429
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C15H15ClN2O4S/c1-9-11(16)4-3-5-12(9)18-15(19)10-6-7-13(22-2)14(8-10)23(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyQWFRSIUPYPWMNM-UHFFFAOYSA-N
XLogP2.56
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 34857713
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36704961
N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
CID 36861804
N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9090103
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-(2,3-dichlorophenyl)-4-methoxy-3-methylbenzamide
CID 18892517
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2596385

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide (CID 36862429) is N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide is COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(N)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide?
The InChIKey is QWFRSIUPYPWMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-9-11(16)4-3-5-12(9)18-15(19)10-6-7-13(22-2)14(8-10)23(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide?
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide has a molecular weight of 354.82 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 36862429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).