N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide

C14H14ClNO2S — CID 7985042

IUPACN-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C14H14ClNO2S/c1-10-3-8-14(9-11(10)2)19(17,18)16-13-6-4-12(15)5-7-13/h3-9,16H,1-2H3
InChIKeySAGSRPFUFAHKDM-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.76
Rot. Bonds3

About N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide

N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 7985042) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID7985042
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C14H14ClNO2S/c1-10-3-8-14(9-11(10)2)19(17,18)16-13-6-4-12(15)5-7-13/h3-9,16H,1-2H3
InChIKeySAGSRPFUFAHKDM-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate
CID 5017065
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 1089389
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 8538684
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide (CID 7985042) is N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is SAGSRPFUFAHKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-10-3-8-14(9-11(10)2)19(17,18)16-13-6-4-12(15)5-7-13/h3-9,16H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide?
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 7985042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).