N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide

C10H13BrClNO2S2 — CID 106135049

IUPACN-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCC(Br)C1)c1ccc(Cl)s1
InChIInChI=1S/C10H13BrClNO2S2/c11-8-2-1-7(5-8)6-13-17(14,15)10-4-3-9(12)16-10/h3-4,7-8,13H,1-2,5-6H2
InChIKeyRXMPONTUMTWBNM-UHFFFAOYSA-N
MW358.71 g/mol
LogP3.24
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide

N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 106135049) has the molecular formula C10H13BrClNO2S2 and a molecular weight of 358.71 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
PubChem CID106135049
Molecular FormulaC10H13BrClNO2S2
Molecular Weight358.71 g/mol
Exact Mass356.93
IUPAC NameN-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCC(Br)C1)c1ccc(Cl)s1
InChIInChI=1S/C10H13BrClNO2S2/c11-8-2-1-7(5-8)6-13-17(14,15)10-4-3-9(12)16-10/h3-4,7-8,13H,1-2,5-6H2
InChIKeyRXMPONTUMTWBNM-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.71
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(3-bromocyclopentyl)methyl]-5-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

N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106134969
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 106135842
N-[(3-chlorocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106135175
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide
CID 75467486
N-[(3-bromocyclohexyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 106135863
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650
5-chloro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-sulfonamide
CID 63622140
5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119624431
N-(3-aminocyclobutyl)-5-chlorothiophene-2-sulfonamide
CID 43597846
2-bromo-N-[(3-bromocyclohexyl)methyl]benzenesulfonamide
CID 114148306

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide (CID 106135049) is N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(NCC1CCC(Br)C1)c1ccc(Cl)s1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is RXMPONTUMTWBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S2/c11-8-2-1-7(5-8)6-13-17(14,15)10-4-3-9(12)16-10/h3-4,7-8,13H,1-2,5-6H2.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide?
N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 358.71 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 106135049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).