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

C10H10ClN3O3S — CID 63666407

IUPAC1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)CCl)o1
InChIInChI=1S/C10H10ClN3O3S/c1-7-12-13-10(17-7)8-4-2-3-5-9(8)14-18(15,16)6-11/h2-5,14H,6H2,1H3
InChIKeyYPKKMXJFHAKVCJ-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.98
Rot. Bonds4

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

1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide (PubChem CID 63666407) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
PubChem CID63666407
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)CCl)o1
InChIInChI=1S/C10H10ClN3O3S/c1-7-12-13-10(17-7)8-4-2-3-5-9(8)14-18(15,16)6-11/h2-5,14H,6H2,1H3
InChIKeyYPKKMXJFHAKVCJ-UHFFFAOYSA-N
XLogP1.98
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 83084278
N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675457
3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 60534651
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 43700063
2-methyl-5-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]benzamide
CID 60532014
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239
N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 115278446
2-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]hexanamide
CID 60852236
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
CID 56762098
N-(2-ethylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175441
1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
CID 63665725

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide (CID 63666407) is 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide is Cc1nnc(-c2ccccc2NS(=O)(=O)CCl)o1.
What is the InChIKey of 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide?
The InChIKey is YPKKMXJFHAKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-7-12-13-10(17-7)8-4-2-3-5-9(8)14-18(15,16)6-11/h2-5,14H,6H2,1H3.
What are the key properties of 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide?
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide has a molecular weight of 287.73 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 63666407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).