N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide

C16H17ClN2O4S — CID 40742199

IUPACN-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC
InChIInChI=1S/C16H17ClN2O4S/c1-10-4-6-12(9-13(10)17)19-16(20)11-5-7-14(23-3)15(8-11)24(21,22)18-2/h4-9,18H,1-3H3,(H,19,20)
InChIKeyIEHOTWZYANGRPP-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.82
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide

N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 40742199) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID40742199
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC NameN-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC
InChIInChI=1S/C16H17ClN2O4S/c1-10-4-6-12(9-13(10)17)19-16(20)11-5-7-14(23-3)15(8-11)24(21,22)18-2/h4-9,18H,1-3H3,(H,19,20)
InChIKeyIEHOTWZYANGRPP-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18147880
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide (CID 40742199) is N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is IEHOTWZYANGRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-10-4-6-12(9-13(10)17)19-16(20)11-5-7-14(23-3)15(8-11)24(21,22)18-2/h4-9,18H,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 368.84 g/mol, XLogP of 2.82, 5 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)-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 40742199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).