5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide

C9H13BrClNO3S2 — CID 80578090

IUPAC5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H13BrClNO3S2/c1-3-9(2,13)5-12-17(14,15)7-4-6(11)8(10)16-7/h4,12-13H,3,5H2,1-2H3
InChIKeyUZKLCDLVXBFQNE-UHFFFAOYSA-N
MW362.70 g/mol
LogP2.60
Rot. Bonds5

About 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide (PubChem CID 80578090) has the molecular formula C9H13BrClNO3S2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
PubChem CID80578090
Molecular FormulaC9H13BrClNO3S2
Molecular Weight362.70 g/mol
Exact Mass360.92
IUPAC Name5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H13BrClNO3S2/c1-3-9(2,13)5-12-17(14,15)7-4-6(11)8(10)16-7/h4,12-13H,3,5H2,1-2H3
InChIKeyUZKLCDLVXBFQNE-UHFFFAOYSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)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-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 106256219
5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
CID 103896649
2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide
CID 65113447
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
CID 115302757
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847938
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
CID 80580140
5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
CID 106846697
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
5-bromo-4-chloro-N-pent-3-ynylthiophene-2-sulfonamide
CID 116645089
methyl 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-chloropropanoate
CID 103493476

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide (CID 80578090) is 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide is CCC(C)(O)CNS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide?
The InChIKey is UZKLCDLVXBFQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClNO3S2/c1-3-9(2,13)5-12-17(14,15)7-4-6(11)8(10)16-7/h4,12-13H,3,5H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide has a molecular weight of 362.70 g/mol, XLogP of 2.60, 5 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-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).