4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H10ClF4NO3S — CID 81461114

IUPAC4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cc(F)c(Cl)c(CO)c1
InChIInChI=1S/C10H10ClF4NO3S/c1-16(5-10(13,14)15)20(18,19)7-2-6(4-17)9(11)8(12)3-7/h2-3,17H,4-5H2,1H3
InChIKeyWNXHDXKJFHJBGK-UHFFFAOYSA-N
MW335.71 g/mol
LogP2.15
Rot. Bonds4

About 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 81461114) 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-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID81461114
Molecular FormulaC10H10ClF4NO3S
Molecular Weight335.71 g/mol
Exact Mass335.00
IUPAC Name4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cc(F)c(Cl)c(CO)c1
InChIInChI=1S/C10H10ClF4NO3S/c1-16(5-10(13,14)15)20(18,19)7-2-6(4-17)9(11)8(12)3-7/h2-3,17H,4-5H2,1H3
InChIKeyWNXHDXKJFHJBGK-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81462040
4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81457911
4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81457684
[2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol
CID 81461813
3-(aminomethyl)-4-chloro-N-[3-(dimethylamino)propyl]-5-fluoro-N-methylbenzenesulfonamide
CID 81450859
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 81457692
[2-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 81451955
4-chloro-3-(chloromethyl)-N-cyclopentyl-5-fluoro-N-methylbenzenesulfonamide
CID 81458331
3-chloro-N-(2,2-dimethylpropyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090736
4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide
CID 81451546
4-chloro-3-fluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81450479
3-(aminomethyl)-4-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81452712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 81461114) is 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cc(F)c(Cl)c(CO)c1.
What is the InChIKey of 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is WNXHDXKJFHJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4NO3S/c1-16(5-10(13,14)15)20(18,19)7-2-6(4-17)9(11)8(12)3-7/h2-3,17H,4-5H2,1H3.
What are the key properties of 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 335.71 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 81461114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).