5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide

C9H13BrN2O2S2 — CID 79988606

IUPAC5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCNC2)sc1Br
InChIInChI=1S/C9H13BrN2O2S2/c1-6-4-8(15-9(6)10)16(13,14)12-7-2-3-11-5-7/h4,7,11-12H,2-3,5H2,1H3
InChIKeyHJRPUCCECOCDDA-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.46
Rot. Bonds3

About 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide

5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide (PubChem CID 79988606) has the molecular formula C9H13BrN2O2S2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
PubChem CID79988606
Molecular FormulaC9H13BrN2O2S2
Molecular Weight325.25 g/mol
Exact Mass323.96
IUPAC Name5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCNC2)sc1Br
InChIInChI=1S/C9H13BrN2O2S2/c1-6-4-8(15-9(6)10)16(13,14)12-7-2-3-11-5-7/h4,7,11-12H,2-3,5H2,1H3
InChIKeyHJRPUCCECOCDDA-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 104982659
4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 84597452
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 80577813
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-bromo-N-cyclopent-3-en-1-yl-4-methylthiophene-2-sulfonamide
CID 115695688
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227
N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988314
5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
CID 79934920
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide
CID 113347709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide (CID 79988606) is 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCNC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The InChIKey is HJRPUCCECOCDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S2/c1-6-4-8(15-9(6)10)16(13,14)12-7-2-3-11-5-7/h4,7,11-12H,2-3,5H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide has a molecular weight of 325.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 79988606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).