1-(benzenesulfonyl)pyrrole-3-sulfonamide

C10H10N2O4S2 — CID 17247568

IUPAC1-(benzenesulfonyl)pyrrole-3-sulfonamide
SMILESNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C10H10N2O4S2/c11-17(13,14)10-6-7-12(8-10)18(15,16)9-4-2-1-3-5-9/h1-8H,(H2,11,13,14)
InChIKeyZDJBRRKVTAMMCW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.37
Rot. Bonds3

About 1-(benzenesulfonyl)pyrrole-3-sulfonamide

1-(benzenesulfonyl)pyrrole-3-sulfonamide (PubChem CID 17247568) has the molecular formula C10H10N2O4S2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrole-3-sulfonamide
PubChem CID17247568
Molecular FormulaC10H10N2O4S2
Molecular Weight286.33 g/mol
Exact Mass286.01
IUPAC Name1-(benzenesulfonyl)pyrrole-3-sulfonamide
SMILESNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C10H10N2O4S2/c11-17(13,14)10-6-7-12(8-10)18(15,16)9-4-2-1-3-5-9/h1-8H,(H2,11,13,14)
InChIKeyZDJBRRKVTAMMCW-UHFFFAOYSA-N
XLogP0.37
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)pyrrole-3-sulfonamide (CID 17247568) is 1-(benzenesulfonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)pyrrole-3-sulfonamide is NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrole-3-sulfonamide?
The InChIKey is ZDJBRRKVTAMMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S2/c11-17(13,14)10-6-7-12(8-10)18(15,16)9-4-2-1-3-5-9/h1-8H,(H2,11,13,14).
What are the key properties of 1-(benzenesulfonyl)pyrrole-3-sulfonamide?
1-(benzenesulfonyl)pyrrole-3-sulfonamide has a molecular weight of 286.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 17247568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).