4-(benzenesulfonamido)-2-methylbenzenesulfonamide

C13H14N2O4S2 — CID 43246869

IUPAC4-(benzenesulfonamido)-2-methylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H14N2O4S2/c1-10-9-11(7-8-13(10)20(14,16)17)15-21(18,19)12-5-3-2-4-6-12/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyLKIQPZDPZCGXHN-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.44
Rot. Bonds4

About 4-(benzenesulfonamido)-2-methylbenzenesulfonamide

4-(benzenesulfonamido)-2-methylbenzenesulfonamide (PubChem CID 43246869) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-methylbenzenesulfonamide
PubChem CID43246869
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-(benzenesulfonamido)-2-methylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H14N2O4S2/c1-10-9-11(7-8-13(10)20(14,16)17)15-21(18,19)12-5-3-2-4-6-12/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyLKIQPZDPZCGXHN-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

Sulfabenz
CID 31390
p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
Diaminostilbenedisulfonic acid
CID 6668
4,4'-Diamino-2,2'-stilbenedisulfonic acid, (E)-
CID 5284378
5-amino-N,2-dimethylbenzene-1-sulfonamide
CID 235521
4'-Amino-1,1'-biphenyl-4-sulfonamide
CID 4961927
2',4'-Dimethylbenzenesulfonanilide
CID 295226
Disulphane
CID 68351
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
4-[[(4-Aminophenyl)sulfonylamino]methyl]benzenesulfonamide
CID 4422372
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)-2-methylbenzenesulfonamide (CID 43246869) is 4-(benzenesulfonamido)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-methylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(benzenesulfonamido)-2-methylbenzenesulfonamide?
The InChIKey is LKIQPZDPZCGXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-10-9-11(7-8-13(10)20(14,16)17)15-21(18,19)12-5-3-2-4-6-12/h2-9,15H,1H3,(H2,14,16,17).
What are the key properties of 4-(benzenesulfonamido)-2-methylbenzenesulfonamide?
4-(benzenesulfonamido)-2-methylbenzenesulfonamide 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 4-(benzenesulfonamido)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43246869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).