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

C12H17ClFNO3S — CID 61448131

IUPACN-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-12(14)11(13)9-10/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyQCWABJLRVWGTBE-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.26
Rot. Bonds7

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

N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61448131) has the molecular formula C12H17ClFNO3S and a molecular weight of 309.79 g/mol. Its IUPAC name is N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61448131
Molecular FormulaC12H17ClFNO3S
Molecular Weight309.79 g/mol
Exact Mass309.06
IUPAC NameN-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-12(14)11(13)9-10/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyQCWABJLRVWGTBE-UHFFFAOYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
3-(aminomethyl)-N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63288066
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 61448131) is N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is QCWABJLRVWGTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO3S/c1-2-3-6-15(7-8-16)19(17,18)10-4-5-12(14)11(13)9-10/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 309.79 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61448131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).