N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide

C15H16ClNO3S — CID 16644791

IUPACN-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H16ClNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-6-4-12(16)5-7-13/h4-9,17H,1-3H3
InChIKeyKTXGBQJAFURBDC-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.77
Rot. Bonds4

About N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide

N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 16644791) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID16644791
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H16ClNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-6-4-12(16)5-7-13/h4-9,17H,1-3H3
InChIKeyKTXGBQJAFURBDC-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2810596
N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 850027
N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 967894
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 2237332
N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 118707083
N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 975471
N-(4-Chlorophenyl)-4-methoxybenzenesulfonamide
CID 598671
N-(4-ethylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 894430
N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 39845457
US9156811, Ddd71292
CID 3706716

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 16644791) is N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is KTXGBQJAFURBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-6-4-12(16)5-7-13/h4-9,17H,1-3H3.
What are the key properties of N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 16644791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).