3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide

C12H16BrNO3S — CID 765790

IUPAC3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C12H16BrNO3S/c1-17-12-7-6-10(8-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeyFUJSLLQDLDHOPK-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.68
Rot. Bonds4

About 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide

3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide (PubChem CID 765790) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide
PubChem CID765790
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2)cc1Br
InChIInChI=1S/C12H16BrNO3S/c1-17-12-7-6-10(8-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeyFUJSLLQDLDHOPK-UHFFFAOYSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide 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

1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 2442102
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
CID 2893758
4-bromo-3-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2967761
3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 880441
N-cyclopentyl-4-ethoxybenzenesulfonamide
CID 893506
5-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 935464
N-cyclohexyl-4-methoxybenzenesulfonamide
CID 766282
N-benzyl-3-bromo-4-methoxybenzenesulfonamide
CID 1120507
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]azepane
CID 800461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide (CID 765790) is 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide?
The InChIKey is FUJSLLQDLDHOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-17-12-7-6-10(8-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3.
What are the key properties of 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide?
3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 765790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).