4-(4-chlorophenyl)sulfonyl-2-methoxyaniline

C13H12ClNO3S — CID 164687562

IUPAC4-(4-chlorophenyl)sulfonyl-2-methoxyaniline
SMILESCOc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C13H12ClNO3S/c1-18-13-8-11(6-7-12(13)15)19(16,17)10-4-2-9(14)3-5-10/h2-8H,15H2,1H3
InChIKeyYVEZVSFBSQEJTM-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.76
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline

4-(4-chlorophenyl)sulfonyl-2-methoxyaniline (PubChem CID 164687562) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-methoxyaniline
PubChem CID164687562
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-methoxyaniline
SMILESCOc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C13H12ClNO3S/c1-18-13-8-11(6-7-12(13)15)19(16,17)10-4-2-9(14)3-5-10/h2-8H,15H2,1H3
InChIKeyYVEZVSFBSQEJTM-UHFFFAOYSA-N
XLogP2.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
2-methoxy-4-propylsulfonylaniline
CID 15153318
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
2-(4-amino-3-methoxyphenyl)sulfonylacetic acid
CID 15217444
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
2-amino-5-(4-methoxyphenyl)sulfonylphenol
CID 168654688
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106667237
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline (CID 164687562) is 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline is COc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1N.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline?
The InChIKey is YVEZVSFBSQEJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-18-13-8-11(6-7-12(13)15)19(16,17)10-4-2-9(14)3-5-10/h2-8H,15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline?
4-(4-chlorophenyl)sulfonyl-2-methoxyaniline has a molecular weight of 297.76 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-methoxyaniline is sourced from PubChem (CID 164687562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).