2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide

C13H14N2O4S2 — CID 57266876

IUPAC2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C13H14N2O4S2/c1-10-5-4-6-11(9-10)21(18,19)15-12-7-2-3-8-13(12)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyBYNPRMCYZOYCFM-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.44
Rot. Bonds4

About 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide

2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 57266876) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID57266876
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C13H14N2O4S2/c1-10-5-4-6-11(9-10)21(18,19)15-12-7-2-3-8-13(12)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyBYNPRMCYZOYCFM-UHFFFAOYSA-N
XLogP1.44
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 75526090
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 47060111
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 107802273
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
2-[[3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 70991191
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide (CID 57266876) is 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is BYNPRMCYZOYCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-10-5-4-6-11(9-10)21(18,19)15-12-7-2-3-8-13(12)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17).
What are the key properties of 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide?
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 57266876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).