4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide

C20H18ClNO2S — CID 19684190

IUPAC4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Cl
InChIInChI=1S/C20H18ClNO2S/c1-14-13-20(15(2)12-18(14)21)25(23,24)22-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-13,22H,1-2H3
InChIKeyVNNUHGMLJBXTQC-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.42
Rot. Bonds4

About 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 19684190) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID19684190
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC Name4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Cl
InChIInChI=1S/C20H18ClNO2S/c1-14-13-20(15(2)12-18(14)21)25(23,24)22-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-13,22H,1-2H3
InChIKeyVNNUHGMLJBXTQC-UHFFFAOYSA-N
XLogP5.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166373629
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166324507
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoic acid
CID 59174218
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide (CID 19684190) is 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is VNNUHGMLJBXTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-14-13-20(15(2)12-18(14)21)25(23,24)22-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-13,22H,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 371.89 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 19684190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).