3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide

C13H14ClN3O3S — CID 131909514

IUPAC3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1noc(C2CC2)n1
InChIInChI=1S/C13H14ClN3O3S/c1-8-10(14)3-2-4-11(8)21(18,19)15-7-12-16-13(20-17-12)9-5-6-9/h2-4,9,15H,5-7H2,1H3
InChIKeyNNRMITJDBABGIK-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.39
Rot. Bonds5

About 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide

3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 131909514) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID131909514
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1noc(C2CC2)n1
InChIInChI=1S/C13H14ClN3O3S/c1-8-10(14)3-2-4-11(8)21(18,19)15-7-12-16-13(20-17-12)9-5-6-9/h2-4,9,15H,5-7H2,1H3
InChIKeyNNRMITJDBABGIK-UHFFFAOYSA-N
XLogP2.39
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 131941425
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide
CID 146132755
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 136531805
2-chloro-6-fluoro-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99838002
3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598659
3-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 131927054
5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 51966188
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391987

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide (CID 131909514) is 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCc1noc(C2CC2)n1.
What is the InChIKey of 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is NNRMITJDBABGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-8-10(14)3-2-4-11(8)21(18,19)15-7-12-16-13(20-17-12)9-5-6-9/h2-4,9,15H,5-7H2,1H3.
What are the key properties of 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide?
3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 131909514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).