5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide

C14H20BrFN2O2S — CID 106006732

IUPAC5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Br)c(F)c(S(=O)(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C14H20BrFN2O2S/c15-12-8-11(17)9-13(14(12)16)21(19,20)18-7-3-6-10-4-1-2-5-10/h8-10,18H,1-7,17H2
InChIKeyNKMVSTQMCQILMH-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.42
Rot. Bonds6

About 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide

5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide (PubChem CID 106006732) has the molecular formula C14H20BrFN2O2S and a molecular weight of 379.30 g/mol. Its IUPAC name is 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide
PubChem CID106006732
Molecular FormulaC14H20BrFN2O2S
Molecular Weight379.30 g/mol
Exact Mass378.04
IUPAC Name5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Br)c(F)c(S(=O)(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C14H20BrFN2O2S/c15-12-8-11(17)9-13(14(12)16)21(19,20)18-7-3-6-10-4-1-2-5-10/h8-10,18H,1-7,17H2
InChIKeyNKMVSTQMCQILMH-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012519
5-amino-3-bromo-N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103460051
5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
CID 65022454
5-amino-3-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142080
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113239002
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea
CID 116646477
5-amino-3-bromo-2-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80726436

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide (CID 106006732) is 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide is Nc1cc(Br)c(F)c(S(=O)(=O)NCCCC2CCCC2)c1.
What is the InChIKey of 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide?
The InChIKey is NKMVSTQMCQILMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S/c15-12-8-11(17)9-13(14(12)16)21(19,20)18-7-3-6-10-4-1-2-5-10/h8-10,18H,1-7,17H2.
What are the key properties of 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide?
5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide has a molecular weight of 379.30 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106006732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).