4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide

C18H16ClN3O3S — CID 130466695

IUPAC4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1-c1noc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H16ClN3O3S/c1-10-2-5-12(19)8-14(10)17-21-18(25-22-17)16-9-15(16)11-3-6-13(7-4-11)26(20,23)24/h2-8,15-16H,9H2,1H3,(H2,20,23,24)/t15-,16+/m0/s1
InChIKeyIIALAAWRCPUYFB-JKSUJKDBSA-N
MW389.86 g/mol
LogP3.62
Rot. Bonds4

About 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide

4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide (PubChem CID 130466695) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
PubChem CID130466695
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1-c1noc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H16ClN3O3S/c1-10-2-5-12(19)8-14(10)17-21-18(25-22-17)16-9-15(16)11-3-6-13(7-4-11)26(20,23)24/h2-8,15-16H,9H2,1H3,(H2,20,23,24)/t15-,16+/m0/s1
InChIKeyIIALAAWRCPUYFB-JKSUJKDBSA-N
XLogP3.62
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S,2S)-2-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448190
4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448621
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
4-[(1S,3S)-3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448696
4-[(1R,2R)-2-(4-cyclopentyl-1,3-oxazol-2-yl)cyclopropyl]benzenesulfonamide
CID 130448493
2-methyl-3-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 19330699
5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide
CID 151827727
4-[(1R,3R)-3-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448161
4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448243
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(3-methyl-1,2-thiazol-4-yl)-1,2,4-oxadiazole
CID 166332360
4-[(1S,3S)-2,2-dichloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448259

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide (CID 130466695) is 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide is Cc1ccc(Cl)cc1-c1noc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide?
The InChIKey is IIALAAWRCPUYFB-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-10-2-5-12(19)8-14(10)17-21-18(25-22-17)16-9-15(16)11-3-6-13(7-4-11)26(20,23)24/h2-8,15-16H,9H2,1H3,(H2,20,23,24)/t15-,16+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide has a molecular weight of 389.86 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130466695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).