4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide

C15H16ClNO3S — CID 976918

IUPAC4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)cc1
InChIInChI=1S/C15H16ClNO3S/c1-3-11-4-7-13(8-5-11)17-21(18,19)15-9-6-12(16)10-14(15)20-2/h4-10,17H,3H2,1-2H3
InChIKeyZDYNKMKOMYWABX-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.71
Rot. Bonds5

About 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide

4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 976918) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
PubChem CID976918
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)cc1
InChIInChI=1S/C15H16ClNO3S/c1-3-11-4-7-13(8-5-11)17-21(18,19)15-9-6-12(16)10-14(15)20-2/h4-10,17H,3H2,1-2H3
InChIKeyZDYNKMKOMYWABX-UHFFFAOYSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540598
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535370
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
5-chloro-2-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide
CID 71730050
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide (CID 976918) is 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)cc1.
What is the InChIKey of 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is ZDYNKMKOMYWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-3-11-4-7-13(8-5-11)17-21(18,19)15-9-6-12(16)10-14(15)20-2/h4-10,17H,3H2,1-2H3.
What are the key properties of 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide?
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 976918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).