4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide

C14H21BrFNO3S — CID 103834154

IUPAC4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H21BrFNO3S/c1-2-3-4-5-8-17(9-10-18)21(19,20)12-6-7-13(15)14(16)11-12/h6-7,11,18H,2-5,8-10H2,1H3
InChIKeyJFWOZWHNQUFQNL-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.15
Rot. Bonds9

About 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide

4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 103834154) has the molecular formula C14H21BrFNO3S and a molecular weight of 382.30 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID103834154
Molecular FormulaC14H21BrFNO3S
Molecular Weight382.30 g/mol
Exact Mass381.04
IUPAC Name4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H21BrFNO3S/c1-2-3-4-5-8-17(9-10-18)21(19,20)12-6-7-13(15)14(16)11-12/h6-7,11,18H,2-5,8-10H2,1H3
InChIKeyJFWOZWHNQUFQNL-UHFFFAOYSA-N
XLogP3.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
4-bromo-N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103697346
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
4-bromo-N,N-bis(2-hydroxyethyl)-3-propoxybenzenesulfonamide
CID 50876357
2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103697437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 103834154) is 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide is CCCCCCN(CCO)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is JFWOZWHNQUFQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO3S/c1-2-3-4-5-8-17(9-10-18)21(19,20)12-6-7-13(15)14(16)11-12/h6-7,11,18H,2-5,8-10H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide?
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 382.30 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 103834154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).