N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

C16H16N4O2S — CID 53090258

IUPACN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C16H16N4O2S/c21-23(22,14-9-5-2-6-10-14)17-12-11-15-18-16(20-19-15)13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H,18,19,20)
InChIKeyYYKNXNLIKIRKNT-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.99
Rot. Bonds6

About N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 53090258) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
PubChem CID53090258
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C16H16N4O2S/c21-23(22,14-9-5-2-6-10-14)17-12-11-15-18-16(20-19-15)13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H,18,19,20)
InChIKeyYYKNXNLIKIRKNT-UHFFFAOYSA-N
XLogP1.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
3-chloro-2-methyl-N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide
CID 53008612
N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53090291
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61352792
4-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773764
3-bromo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 166322298
N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53090292
4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide
CID 46958763
N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 7244498

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (CID 53090258) is N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1nc(-c2ccccc2)n[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is YYKNXNLIKIRKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-23(22,14-9-5-2-6-10-14)17-12-11-15-18-16(20-19-15)13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H,18,19,20).
What are the key properties of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 53090258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).