5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide

C14H21BrClNO2S2 — CID 80578222

IUPAC5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide
SMILESCC(C)(C)C1CCCCC1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C14H21BrClNO2S2/c1-14(2,3)9-6-4-5-7-11(9)17-21(18,19)12-8-10(16)13(15)20-12/h8-9,11,17H,4-7H2,1-3H3
InChIKeyRHAWUHMPINBGGU-UHFFFAOYSA-N
MW414.82 g/mol
LogP5.05
Rot. Bonds3

About 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide

5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide (PubChem CID 80578222) has the molecular formula C14H21BrClNO2S2 and a molecular weight of 414.82 g/mol. Its IUPAC name is 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide
PubChem CID80578222
Molecular FormulaC14H21BrClNO2S2
Molecular Weight414.82 g/mol
Exact Mass412.99
IUPAC Name5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide
SMILESCC(C)(C)C1CCCCC1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C14H21BrClNO2S2/c1-14(2,3)9-6-4-5-7-11(9)17-21(18,19)12-8-10(16)13(15)20-12/h8-9,11,17H,4-7H2,1-3H3
InChIKeyRHAWUHMPINBGGU-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.82
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-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-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 80578058
N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578100
5-bromo-4-chloro-N-(2,2-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 80580128
5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 80577813
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-cyclohexylethanethioamide
CID 80577398
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-tert-butylazepane
CID 80578871
N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide
CID 58431850
N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577887
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
CID 80580140
5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide
CID 80578682
5-bromo-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-sulfonamide
CID 80577795

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide (CID 80578222) is 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide is CC(C)(C)C1CCCCC1NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide?
The InChIKey is RHAWUHMPINBGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNO2S2/c1-14(2,3)9-6-4-5-7-11(9)17-21(18,19)12-8-10(16)13(15)20-12/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide?
5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide has a molecular weight of 414.82 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 80578222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).