4-(methanesulfonamido)benzenesulfonamide

C7H10N2O4S2 — CID 2837872

IUPAC4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N2O4S2/c1-14(10,11)9-6-2-4-7(5-3-6)15(8,12)13/h2-5,9H,1H3,(H2,8,12,13)
InChIKeyKPLRLDFXFOARQY-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.29
Rot. Bonds3

About 4-(methanesulfonamido)benzenesulfonamide

4-(methanesulfonamido)benzenesulfonamide (PubChem CID 2837872) has the molecular formula C7H10N2O4S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)benzenesulfonamide
PubChem CID2837872
Molecular FormulaC7H10N2O4S2
Molecular Weight250.30 g/mol
Exact Mass250.01
IUPAC Name4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N2O4S2/c1-14(10,11)9-6-2-4-7(5-3-6)15(8,12)13/h2-5,9H,1H3,(H2,8,12,13)
InChIKeyKPLRLDFXFOARQY-UHFFFAOYSA-N
XLogP-0.29
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)benzenesulfonamide (CID 2837872) is 4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is KPLRLDFXFOARQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S2/c1-14(10,11)9-6-2-4-7(5-3-6)15(8,12)13/h2-5,9H,1H3,(H2,8,12,13).
What are the key properties of 4-(methanesulfonamido)benzenesulfonamide?
4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 250.30 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 2837872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).