N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide

C14H17FN4O2S — CID 71978421

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1nnc(C2CC2)n1C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H17FN4O2S/c1-18(22(20,21)12-6-4-3-5-11(12)15)9-13-16-17-14(19(13)2)10-7-8-10/h3-6,10H,7-9H2,1-2H3
InChIKeyIHALTHZBRDVURE-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.65
Rot. Bonds5

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 71978421) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide
PubChem CID71978421
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1nnc(C2CC2)n1C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H17FN4O2S/c1-18(22(20,21)12-6-4-3-5-11(12)15)9-13-16-17-14(19(13)2)10-7-8-10/h3-6,10H,7-9H2,1-2H3
InChIKeyIHALTHZBRDVURE-UHFFFAOYSA-N
XLogP1.65
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide (CID 71978421) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide is CN(Cc1nnc(C2CC2)n1C)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is IHALTHZBRDVURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-18(22(20,21)12-6-4-3-5-11(12)15)9-13-16-17-14(19(13)2)10-7-8-10/h3-6,10H,7-9H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 324.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 71978421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).