N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide

C9H12BrClN2O2S2 — CID 80577887

IUPACN-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESNCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C1CC1
InChIInChI=1S/C9H12BrClN2O2S2/c10-9-6(11)3-8(16-9)17(14,15)13-7(4-12)5-1-2-5/h3,5,7,13H,1-2,4,12H2
InChIKeySUIZMPFVOJMMNH-UHFFFAOYSA-N
MW359.70 g/mol
LogP2.18
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide

N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide (PubChem CID 80577887) has the molecular formula C9H12BrClN2O2S2 and a molecular weight of 359.70 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
PubChem CID80577887
Molecular FormulaC9H12BrClN2O2S2
Molecular Weight359.70 g/mol
Exact Mass357.92
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
SMILESNCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C1CC1
InChIInChI=1S/C9H12BrClN2O2S2/c10-9-6(11)3-8(16-9)17(14,15)13-7(4-12)5-1-2-5/h3,5,7,13H,1-2,4,12H2
InChIKeySUIZMPFVOJMMNH-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopropylethyl)-5-bromo-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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide (CID 80577887) is N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide is NCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide?
The InChIKey is SUIZMPFVOJMMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O2S2/c10-9-6(11)3-8(16-9)17(14,15)13-7(4-12)5-1-2-5/h3,5,7,13H,1-2,4,12H2.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide?
N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide has a molecular weight of 359.70 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 80577887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).