5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide

C10H8BrNO4S3 — CID 12736882

IUPAC5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H8BrNO4S3/c11-8-6-9(19(12,15)16)17-10(8)18(13,14)7-4-2-1-3-5-7/h1-6H,(H2,12,15,16)
InChIKeyXLDMJXRXZPMTJZ-UHFFFAOYSA-N
MW382.28 g/mol
LogP1.99
Rot. Bonds3

About 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide

5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide (PubChem CID 12736882) has the molecular formula C10H8BrNO4S3 and a molecular weight of 382.28 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide
PubChem CID12736882
Molecular FormulaC10H8BrNO4S3
Molecular Weight382.28 g/mol
Exact Mass380.88
IUPAC Name5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H8BrNO4S3/c11-8-6-9(19(12,15)16)17-10(8)18(13,14)7-4-2-1-3-5-7/h1-6H,(H2,12,15,16)
InChIKeyXLDMJXRXZPMTJZ-UHFFFAOYSA-N
XLogP1.99
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide (CID 12736882) is 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide is NS(=O)(=O)c1cc(Br)c(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide?
The InChIKey is XLDMJXRXZPMTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4S3/c11-8-6-9(19(12,15)16)17-10(8)18(13,14)7-4-2-1-3-5-7/h1-6H,(H2,12,15,16).
What are the key properties of 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide?
5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide has a molecular weight of 382.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-bromothiophene-2-sulfonamide is sourced from PubChem (CID 12736882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).