5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide

C8H10BrClN2O2S2 — CID 80577813

IUPAC5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C8H10BrClN2O2S2/c9-8-6(10)3-7(15-8)16(13,14)12-5-1-2-11-4-5/h3,5,11-12H,1-2,4H2/t5-/m1/s1
InChIKeyVDPWZAKFSYCVML-RXMQYKEDSA-N
MW345.67 g/mol
LogP1.80
Rot. Bonds3

About 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 80577813) has the molecular formula C8H10BrClN2O2S2 and a molecular weight of 345.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID80577813
Molecular FormulaC8H10BrClN2O2S2
Molecular Weight345.67 g/mol
Exact Mass343.91
IUPAC Name5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C8H10BrClN2O2S2/c9-8-6(10)3-7(15-8)16(13,14)12-5-1-2-11-4-5/h3,5,11-12H,1-2,4H2/t5-/m1/s1
InChIKeyVDPWZAKFSYCVML-RXMQYKEDSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 104982659
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 84597452
2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686004
5-bromo-4-chloro-N-(2-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 80578058
N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578100
5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide
CID 80578222
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 80577813) is 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide is O=S(=O)(N[C@@H]1CCNC1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is VDPWZAKFSYCVML-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S2/c9-8-6(10)3-7(15-8)16(13,14)12-5-1-2-11-4-5/h3,5,11-12H,1-2,4H2/t5-/m1/s1.
What are the key properties of 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 345.67 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 80577813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).