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

C15H16ClNO3S — CID 9267447

IUPACN-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-10-8-14(20-3)15(9-11(10)2)21(18,19)17-13-6-4-12(16)5-7-13/h4-9,17H,1-3H3
InChIKeyDHGOEQIFOBSLTF-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.77
Rot. Bonds4

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

N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 9267447) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID9267447
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-10-8-14(20-3)15(9-11(10)2)21(18,19)17-13-6-4-12(16)5-7-13/h4-9,17H,1-3H3
InChIKeyDHGOEQIFOBSLTF-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)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 112980539
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 9267447) is N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is DHGOEQIFOBSLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-10-8-14(20-3)15(9-11(10)2)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)-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-(4-chlorophenyl)-2-methoxy-4,5-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)-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 9267447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).