4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C10H10ClF4NO3S — CID 81457911

IUPAC4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1cc(F)c(Cl)c(CO)c1
InChIInChI=1S/C10H10ClF4NO3S/c11-9-6(5-17)3-7(4-8(9)12)20(18,19)16-2-1-10(13,14)15/h3-4,16-17H,1-2,5H2
InChIKeyLQMHVOGKUGLZPU-UHFFFAOYSA-N
MW335.71 g/mol
LogP2.20
Rot. Bonds5

About 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide

4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 81457911) has the molecular formula C10H10ClF4NO3S and a molecular weight of 335.71 g/mol. Its IUPAC name is 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID81457911
Molecular FormulaC10H10ClF4NO3S
Molecular Weight335.71 g/mol
Exact Mass335.00
IUPAC Name4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1cc(F)c(Cl)c(CO)c1
InChIInChI=1S/C10H10ClF4NO3S/c11-9-6(5-17)3-7(4-8(9)12)20(18,19)16-2-1-10(13,14)15/h3-4,16-17H,1-2,5H2
InChIKeyLQMHVOGKUGLZPU-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-4-chloro-5-fluoro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81457016
4-chloro-3-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81462040
4-chloro-3-fluoro-5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002093
3-(aminomethyl)-4-chloro-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 81458602
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-fluoroethyl)benzenesulfonamide
CID 114267220
4-chloro-3-(ethylaminomethyl)-5-fluoro-N-propylbenzenesulfonamide
CID 81457570
4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide
CID 81451546
2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79187804
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 81457810
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81428139
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115522646
3-(aminomethyl)-4-chloro-N-(2,2-difluoroethyl)-5-fluorobenzenesulfonamide
CID 115409156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 81457911) is 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide is O=S(=O)(NCCC(F)(F)F)c1cc(F)c(Cl)c(CO)c1.
What is the InChIKey of 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is LQMHVOGKUGLZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4NO3S/c11-9-6(5-17)3-7(4-8(9)12)20(18,19)16-2-1-10(13,14)15/h3-4,16-17H,1-2,5H2.
What are the key properties of 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 335.71 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 81457911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).