N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide

C11H14F3NO3S — CID 64911010

IUPACN-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-8(16)6-7-15-19(17,18)10-5-3-2-4-9(10)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKeyJPPQXCMKCZKBFN-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.75
Rot. Bonds5

About N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide

N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 64911010) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID64911010
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC NameN-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-8(16)6-7-15-19(17,18)10-5-3-2-4-9(10)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKeyJPPQXCMKCZKBFN-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815
N-[2-(2-hydroxypropylamino)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104593954
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
3-hydroxybutyl 2-(trifluoromethyl)benzenesulfonate
CID 86761982
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
N-(3-bromobutyl)-2-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 114297627
2-methyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62668032
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide (CID 64911010) is N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide is CC(O)CCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JPPQXCMKCZKBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-8(16)6-7-15-19(17,18)10-5-3-2-4-9(10)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 64911010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).