4-(2-methoxyphenyl)sulfonylaniline

C13H13NO3S — CID 10801498

IUPAC4-(2-methoxyphenyl)sulfonylaniline
SMILESCOc1ccccc1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H13NO3S/c1-17-12-4-2-3-5-13(12)18(15,16)11-8-6-10(14)7-9-11/h2-9H,14H2,1H3
InChIKeySXOFYPXQBMOPNV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.11
Rot. Bonds3

About 4-(2-methoxyphenyl)sulfonylaniline

4-(2-methoxyphenyl)sulfonylaniline (PubChem CID 10801498) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)sulfonylaniline.

Molecular Properties

Compound Name4-(2-methoxyphenyl)sulfonylaniline
PubChem CID10801498
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name4-(2-methoxyphenyl)sulfonylaniline
SMILESCOc1ccccc1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H13NO3S/c1-17-12-4-2-3-5-13(12)18(15,16)11-8-6-10(14)7-9-11/h2-9H,14H2,1H3
InChIKeySXOFYPXQBMOPNV-UHFFFAOYSA-N
XLogP2.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.11
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

3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine
CID 175083546
(2-methoxyanilino) 4-aminobenzenesulfonate
CID 88734298
4-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylaniline
CID 140927841
2-(4-aminophenyl)sulfonyl-N-ethoxyaniline
CID 174490123
3-(benzenesulfonyl)-2-methoxyaniline
CID 59675219
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
CID 100591343
2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
CID 132609514

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)sulfonylaniline?
The IUPAC name of 4-(2-methoxyphenyl)sulfonylaniline (CID 10801498) is 4-(2-methoxyphenyl)sulfonylaniline.
What is the SMILES notation for 4-(2-methoxyphenyl)sulfonylaniline?
The canonical SMILES for 4-(2-methoxyphenyl)sulfonylaniline is COc1ccccc1S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)sulfonylaniline?
The InChIKey is SXOFYPXQBMOPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-17-12-4-2-3-5-13(12)18(15,16)11-8-6-10(14)7-9-11/h2-9H,14H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)sulfonylaniline?
4-(2-methoxyphenyl)sulfonylaniline has a molecular weight of 263.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)sulfonylaniline is sourced from PubChem (CID 10801498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).