4-bromo-N-cyclopentylnaphthalene-1-sulfonamide

C15H16BrNO2S — CID 91800387

IUPAC4-bromo-N-cyclopentylnaphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrNO2S/c16-14-9-10-15(13-8-4-3-7-12(13)14)20(18,19)17-11-5-1-2-6-11/h3-4,7-11,17H,1-2,5-6H2
InChIKeyHBZQVEDRFWWROD-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.82
Rot. Bonds3

About 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide

4-bromo-N-cyclopentylnaphthalene-1-sulfonamide (PubChem CID 91800387) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentylnaphthalene-1-sulfonamide
PubChem CID91800387
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-bromo-N-cyclopentylnaphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrNO2S/c16-14-9-10-15(13-8-4-3-7-12(13)14)20(18,19)17-11-5-1-2-6-11/h3-4,7-11,17H,1-2,5-6H2
InChIKeyHBZQVEDRFWWROD-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116311
N-cyclohexyl-4-fluoronaphthalene-1-sulfonamide
CID 589300
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104
N-[5-(cyclohexylsulfamoyl)naphthalen-1-yl]benzamide
CID 59718017
N-cyclopropyl-5-iodonaphthalene-1-sulfonamide
CID 173069908
N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10908359
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
CID 68871797

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide?
The IUPAC name of 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide (CID 91800387) is 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide?
The canonical SMILES for 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide is O=S(=O)(NC1CCCC1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide?
The InChIKey is HBZQVEDRFWWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c16-14-9-10-15(13-8-4-3-7-12(13)14)20(18,19)17-11-5-1-2-6-11/h3-4,7-11,17H,1-2,5-6H2.
What are the key properties of 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide?
4-bromo-N-cyclopentylnaphthalene-1-sulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentylnaphthalene-1-sulfonamide is sourced from PubChem (CID 91800387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).