4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C17H18N4O3S — CID 155342969

IUPAC4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2nnc(C)o2)c1
InChIInChI=1S/C17H18N4O3S/c1-12-20-21-17(24-12)15-10-14(25(22,23)18-2)8-9-16(15)19-11-13-6-4-3-5-7-13/h3-10,18-19H,11H2,1-2H3
InChIKeyLTQLZMGQCRMHET-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.57
Rot. Bonds6

About 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 155342969) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID155342969
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2nnc(C)o2)c1
InChIInChI=1S/C17H18N4O3S/c1-12-20-21-17(24-12)15-10-14(25(22,23)18-2)8-9-16(15)19-11-13-6-4-3-5-7-13/h3-10,18-19H,11H2,1-2H3
InChIKeyLTQLZMGQCRMHET-UHFFFAOYSA-N
XLogP2.57
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexa-1,5-dien-1-ylmethylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 162749495
2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide
CID 155732609
4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098108
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
2-methyl-5-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]benzamide
CID 60532014
3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 60534651
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
N-[(1-ethylpyrrol-3-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66399672
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 115278446
4-(benzylamino)-N-tert-butyl-3-nitrobenzenesulfonamide
CID 9186791

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 155342969) is 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccccc2)c(-c2nnc(C)o2)c1.
What is the InChIKey of 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is LTQLZMGQCRMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-12-20-21-17(24-12)15-10-14(25(22,23)18-2)8-9-16(15)19-11-13-6-4-3-5-7-13/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 155342969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).