N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide

C10H12N4O2S — CID 110874281

IUPACN-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cnnn1-c1ccccc1
InChIInChI=1S/C10H12N4O2S/c1-17(15,16)12-8-10-7-11-13-14(10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3
InChIKeyUODKFFNVXRLDRP-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.32
Rot. Bonds4

About N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide

N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide (PubChem CID 110874281) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide
PubChem CID110874281
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cnnn1-c1ccccc1
InChIInChI=1S/C10H12N4O2S/c1-17(15,16)12-8-10-7-11-13-14(10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3
InChIKeyUODKFFNVXRLDRP-UHFFFAOYSA-N
XLogP0.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide (CID 110874281) is N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide is CS(=O)(=O)NCc1cnnn1-c1ccccc1.
What is the InChIKey of N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide?
The InChIKey is UODKFFNVXRLDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-17(15,16)12-8-10-7-11-13-14(10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3.
What are the key properties of N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide?
N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110874281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).