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

C16H16N4O3S — CID 848419

IUPACN,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H16N4O3S/c1-12-3-5-14(6-4-12)24(21,22)20(2)11-15-18-16(19-23-15)13-7-9-17-10-8-13/h3-10H,11H2,1-2H3
InChIKeyOBTIKOJYPPLVEA-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.26
Rot. Bonds5

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

N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 848419) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID848419
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C16H16N4O3S/c1-12-3-5-14(6-4-12)24(21,22)20(2)11-15-18-16(19-23-15)13-7-9-17-10-8-13/h3-10H,11H2,1-2H3
InChIKeyOBTIKOJYPPLVEA-UHFFFAOYSA-N
XLogP2.26
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
4-(5-Pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155558119
2-(5-{[(4-Methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 974714
N-methyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 974719
4-bromo-N-methyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 1253803
4-chloro-N-methyl-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 1300325
N-methyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-2-naphthalenesulfonamide
CID 1300548
4-chloro-N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 1301101
5-(1-Naphthalen-2-ylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 1453619
N-methyl-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 1861514
N,4-dimethyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 2202424
5-[(4-Methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2219801

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 848419) is N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is OBTIKOJYPPLVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-12-3-5-14(6-4-12)24(21,22)20(2)11-15-18-16(19-23-15)13-7-9-17-10-8-13/h3-10H,11H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 848419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).