N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide

C15H16ClNO2S — CID 2697102

IUPACN-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-10-5-7-14(8-12(10)3)20(18,19)17-15-9-13(16)6-4-11(15)2/h4-9,17H,1-3H3
InChIKeyDBHOPRGNRXHLEI-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.07
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 2697102) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID2697102
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-10-5-7-14(8-12(10)3)20(18,19)17-15-9-13(16)6-4-11(15)2/h4-9,17H,1-3H3
InChIKeyDBHOPRGNRXHLEI-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28525479
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000667
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide (CID 2697102) is N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is DBHOPRGNRXHLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10-5-7-14(8-12(10)3)20(18,19)17-15-9-13(16)6-4-11(15)2/h4-9,17H,1-3H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide?
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2697102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).