5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide

C16H17ClN2O3S — CID 34035463

IUPAC5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(N)=O
InChIInChI=1S/C16H17ClN2O3S/c1-11-7-8-13(9-14(11)16(18)20)23(21,22)19(2)10-12-5-3-4-6-15(12)17/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyVEHTVSLSBQBXSB-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.57
Rot. Bonds5

About 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide

5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide (PubChem CID 34035463) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
PubChem CID34035463
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(N)=O
InChIInChI=1S/C16H17ClN2O3S/c1-11-7-8-13(9-14(11)16(18)20)23(21,22)19(2)10-12-5-3-4-6-15(12)17/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyVEHTVSLSBQBXSB-UHFFFAOYSA-N
XLogP2.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide
CID 64517256
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide (CID 34035463) is 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(N)=O.
What is the InChIKey of 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide?
The InChIKey is VEHTVSLSBQBXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-7-8-13(9-14(11)16(18)20)23(21,22)19(2)10-12-5-3-4-6-15(12)17/h3-9H,10H2,1-2H3,(H2,18,20).
What are the key properties of 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide?
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide has a molecular weight of 352.84 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 34035463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).