3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

C11H14ClF2NO4S — CID 65034786

IUPAC3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H14ClF2NO4S/c1-7(6-16)5-15-20(17,18)8-2-3-10(9(12)4-8)19-11(13)14/h2-4,7,11,15-16H,5-6H2,1H3
InChIKeyBOEAQPWUAJHELE-UHFFFAOYSA-N
MW329.75 g/mol
LogP1.85
Rot. Bonds7

About 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 65034786) has the molecular formula C11H14ClF2NO4S and a molecular weight of 329.75 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID65034786
Molecular FormulaC11H14ClF2NO4S
Molecular Weight329.75 g/mol
Exact Mass329.03
IUPAC Name3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H14ClF2NO4S/c1-7(6-16)5-15-20(17,18)8-2-3-10(9(12)4-8)19-11(13)14/h2-4,7,11,15-16H,5-6H2,1H3
InChIKeyBOEAQPWUAJHELE-UHFFFAOYSA-N
XLogP1.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 115776409
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-chloro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034448
3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720121
3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 55904028
4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120877054
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (CID 65034786) is 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is CC(CO)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is BOEAQPWUAJHELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO4S/c1-7(6-16)5-15-20(17,18)8-2-3-10(9(12)4-8)19-11(13)14/h2-4,7,11,15-16H,5-6H2,1H3.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 329.75 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65034786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).