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

C12H17BrFNO3S — CID 103833721

IUPAC4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-11(13)12(14)9-10/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyMMPKCHQRVPDORR-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.37
Rot. Bonds7

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

4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 103833721) has the molecular formula C12H17BrFNO3S and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID103833721
Molecular FormulaC12H17BrFNO3S
Molecular Weight354.24 g/mol
Exact Mass353.01
IUPAC Name4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-11(13)12(14)9-10/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyMMPKCHQRVPDORR-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
4-bromo-N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103697346
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
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
2-bromo-5-(dibutylsulfamoyl)benzoic acid
CID 20505984
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-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 103833721) is 4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is MMPKCHQRVPDORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-11(13)12(14)9-10/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of 4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 354.24 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 103833721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).