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

C17H16ClN3O3S — CID 53098036

IUPAC2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1cccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)o2)c1
InChIInChI=1S/C17H16ClN3O3S/c1-11-5-4-6-12(9-11)16-19-20-17(24-16)13-7-8-14(18)15(10-13)25(22,23)21(2)3/h4-10H,1-3H3
InChIKeyWVTZURITTFOJJV-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.62
Rot. Bonds4

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

2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 53098036) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID53098036
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1cccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)o2)c1
InChIInChI=1S/C17H16ClN3O3S/c1-11-5-4-6-12(9-11)16-19-20-17(24-16)13-7-8-14(18)15(10-13)25(22,23)21(2)3/h4-10H,1-3H3
InChIKeyWVTZURITTFOJJV-UHFFFAOYSA-N
XLogP3.62
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N,N-diethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 53098037
2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 53098039
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 58003971
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 53098036) is 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is Cc1cccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)o2)c1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is WVTZURITTFOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-11-5-4-6-12(9-11)16-19-20-17(24-16)13-7-8-14(18)15(10-13)25(22,23)21(2)3/h4-10H,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 53098036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).