4-(2-methylanilino)benzenesulfonamide

C13H14N2O2S — CID 69329029

IUPAC4-(2-methylanilino)benzenesulfonamide
SMILESCc1ccccc1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N2O2S/c1-10-4-2-3-5-13(10)15-11-6-8-12(9-7-11)18(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyPYKWDAKYUWFWED-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.39
Rot. Bonds3

About 4-(2-methylanilino)benzenesulfonamide

4-(2-methylanilino)benzenesulfonamide (PubChem CID 69329029) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(2-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylanilino)benzenesulfonamide
PubChem CID69329029
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-(2-methylanilino)benzenesulfonamide
SMILESCc1ccccc1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N2O2S/c1-10-4-2-3-5-13(10)15-11-6-8-12(9-7-11)18(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyPYKWDAKYUWFWED-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)benzenesulfonamide?
The IUPAC name of 4-(2-methylanilino)benzenesulfonamide (CID 69329029) is 4-(2-methylanilino)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylanilino)benzenesulfonamide?
The canonical SMILES for 4-(2-methylanilino)benzenesulfonamide is Cc1ccccc1Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-methylanilino)benzenesulfonamide?
The InChIKey is PYKWDAKYUWFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-4-2-3-5-13(10)15-11-6-8-12(9-7-11)18(14,16)17/h2-9,15H,1H3,(H2,14,16,17).
What are the key properties of 4-(2-methylanilino)benzenesulfonamide?
4-(2-methylanilino)benzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)benzenesulfonamide is sourced from PubChem (CID 69329029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).