3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide

C18H17ClF2N4O4S — CID 52516056

IUPAC3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H17ClF2N4O4S/c1-10(2)15(17-23-16(24-29-17)11-5-7-22-8-6-11)25-30(26,27)12-3-4-14(13(19)9-12)28-18(20)21/h3-10,15,18,25H,1-2H3/t15-/m1/s1
InChIKeyRPBRKIFUICIZDZ-OAHLLOKOSA-N
MW458.87 g/mol
LogP4.06
Rot. Bonds8

About 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide

3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide (PubChem CID 52516056) has the molecular formula C18H17ClF2N4O4S and a molecular weight of 458.87 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide
PubChem CID52516056
Molecular FormulaC18H17ClF2N4O4S
Molecular Weight458.87 g/mol
Exact Mass458.06
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H17ClF2N4O4S/c1-10(2)15(17-23-16(24-29-17)11-5-7-22-8-6-11)25-30(26,27)12-3-4-14(13(19)9-12)28-18(20)21/h3-10,15,18,25H,1-2H3/t15-/m1/s1
InChIKeyRPBRKIFUICIZDZ-OAHLLOKOSA-N
XLogP4.06
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.87
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 97257901
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 118984571
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 55681769
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 51133661
5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
CID 166223773
3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563166
3-fluoro-4-methoxy-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 99837652
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786
(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 39995903

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide (CID 52516056) is 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide is CC(C)[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1nc(-c2ccncc2)no1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide?
The InChIKey is RPBRKIFUICIZDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClF2N4O4S/c1-10(2)15(17-23-16(24-29-17)11-5-7-22-8-6-11)25-30(26,27)12-3-4-14(13(19)9-12)28-18(20)21/h3-10,15,18,25H,1-2H3/t15-/m1/s1.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide has a molecular weight of 458.87 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 52516056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).