5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide

C10H12BrCl2NO2S2 — CID 80578682

IUPAC5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCC1Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H12BrCl2NO2S2/c11-10-8(13)4-9(17-10)18(15,16)14-5-6-2-1-3-7(6)12/h4,6-7,14H,1-3,5H2
InChIKeyFVSCNMTWDXBRGQ-UHFFFAOYSA-N
MW393.16 g/mol
LogP3.85
Rot. Bonds4

About 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide (PubChem CID 80578682) has the molecular formula C10H12BrCl2NO2S2 and a molecular weight of 393.16 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide
PubChem CID80578682
Molecular FormulaC10H12BrCl2NO2S2
Molecular Weight393.16 g/mol
Exact Mass390.89
IUPAC Name5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCC1Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H12BrCl2NO2S2/c11-10-8(13)4-9(17-10)18(15,16)14-5-6-2-1-3-7(6)12/h4,6-7,14H,1-3,5H2
InChIKeyFVSCNMTWDXBRGQ-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.16
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
CID 80577895
N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578100
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide
CID 79988854
N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115685407
5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
5-bromo-4-chloro-N-(2-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 80578058
5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
CID 106846697
2-bromo-N-[(2-chlorocyclohexyl)methyl]benzenesulfonamide
CID 65032937
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433142
5-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 115755592
5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide
CID 80578222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide (CID 80578682) is 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1CCCC1Cl)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide?
The InChIKey is FVSCNMTWDXBRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO2S2/c11-10-8(13)4-9(17-10)18(15,16)14-5-6-2-1-3-7(6)12/h4,6-7,14H,1-3,5H2.
What are the key properties of 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide has a molecular weight of 393.16 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 80578682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).