3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide

C11H14ClF2NO4S — CID 115776409

IUPAC3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H14ClF2NO4S/c1-7(6-16)15(2)20(17,18)8-3-4-10(9(12)5-8)19-11(13)14/h3-5,7,11,16H,6H2,1-2H3
InChIKeyKVSROKLLSUKUMC-UHFFFAOYSA-N
MW329.75 g/mol
LogP1.94
Rot. Bonds6

About 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide

3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 115776409) has the molecular formula C11H14ClF2NO4S and a molecular weight of 329.75 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID115776409
Molecular FormulaC11H14ClF2NO4S
Molecular Weight329.75 g/mol
Exact Mass329.03
IUPAC Name3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H14ClF2NO4S/c1-7(6-16)15(2)20(17,18)8-3-4-10(9(12)5-8)19-11(13)14/h3-5,7,11,16H,6H2,1-2H3
InChIKeyKVSROKLLSUKUMC-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 55681643
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853
N-(azetidin-3-yl)-3-chloro-4-(difluoromethoxy)-N-ethylbenzenesulfonamide
CID 66181484
4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
CID 104551002
2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 115776360
N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
CID 37496456
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
N-(1-bromopropan-2-yl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 104556395
3-amino-4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 104550970

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide (CID 115776409) is 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide is CC(CO)N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is KVSROKLLSUKUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO4S/c1-7(6-16)15(2)20(17,18)8-3-4-10(9(12)5-8)19-11(13)14/h3-5,7,11,16H,6H2,1-2H3.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 329.75 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115776409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).