N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide

C16H17ClN2O3S — CID 34857713

IUPACN-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C16H17ClN2O3S/c1-9-7-12(8-15(10(9)2)23(18,21)22)16(20)19-14-6-4-5-13(17)11(14)3/h4-8H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyHZBVBSYAWRORML-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.16
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide

N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 34857713) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID34857713
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C16H17ClN2O3S/c1-9-7-12(8-15(10(9)2)23(18,21)22)16(20)19-14-6-4-5-13(17)11(14)3/h4-8H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyHZBVBSYAWRORML-UHFFFAOYSA-N
XLogP3.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429
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
3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide
CID 166201010
N-(3-methoxyphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 43022494
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61034623
4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2599735
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide (CID 34857713) is N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)Nc2cccc(Cl)c2C)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is HZBVBSYAWRORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-9-7-12(8-15(10(9)2)23(18,21)22)16(20)19-14-6-4-5-13(17)11(14)3/h4-8H,1-3H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide?
N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 352.84 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 34857713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).