3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide

C12H11ClF2N2O4S — CID 97257901

IUPAC3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccon1
InChIInChI=1S/C12H11ClF2N2O4S/c1-7(10-4-5-20-16-10)17-22(18,19)8-2-3-11(9(13)6-8)21-12(14)15/h2-7,12,17H,1H3/t7-/m1/s1
InChIKeyVJYWWIUWXNMEGN-SSDOTTSWSA-N
MW352.75 g/mol
LogP2.97
Rot. Bonds6

About 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide

3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 97257901) has the molecular formula C12H11ClF2N2O4S and a molecular weight of 352.75 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
PubChem CID97257901
Molecular FormulaC12H11ClF2N2O4S
Molecular Weight352.75 g/mol
Exact Mass352.01
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccon1
InChIInChI=1S/C12H11ClF2N2O4S/c1-7(10-4-5-20-16-10)17-22(18,19)8-2-3-11(9(13)6-8)21-12(14)15/h2-7,12,17H,1H3/t7-/m1/s1
InChIKeyVJYWWIUWXNMEGN-SSDOTTSWSA-N
XLogP2.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 55681769
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide
CID 52516056
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide
CID 43597890
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809
3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 55681797
3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 55904028
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide (CID 97257901) is 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccon1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is VJYWWIUWXNMEGN-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11ClF2N2O4S/c1-7(10-4-5-20-16-10)17-22(18,19)8-2-3-11(9(13)6-8)21-12(14)15/h2-7,12,17H,1H3/t7-/m1/s1.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 352.75 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97257901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).