N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C19H19FN4O2S — CID 162346157

IUPACN-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@H](NS(=O)(=O)c2ccccc2)[C@@H]1c1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C19H19FN4O2S/c1-19(2)17(18(19)22-27(25,26)15-9-4-3-5-10-15)16-12-24(23-21-16)14-8-6-7-13(20)11-14/h3-12,17-18,22H,1-2H3/t17-,18+/m0/s1
InChIKeyRUBDQWUROQHFRK-ZWKOTPCHSA-N
MW386.45 g/mol
LogP2.88
Rot. Bonds5

About N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 162346157) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID162346157
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC NameN-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@H](NS(=O)(=O)c2ccccc2)[C@@H]1c1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C19H19FN4O2S/c1-19(2)17(18(19)22-27(25,26)15-9-4-3-5-10-15)16-12-24(23-21-16)14-8-6-7-13(20)11-14/h3-12,17-18,22H,1-2H3/t17-,18+/m0/s1
InChIKeyRUBDQWUROQHFRK-ZWKOTPCHSA-N
XLogP2.88
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 162346157) is N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is CC1(C)[C@H](NS(=O)(=O)c2ccccc2)[C@@H]1c1cn(-c2cccc(F)c2)nn1.
What is the InChIKey of N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is RUBDQWUROQHFRK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-19(2)17(18(19)22-27(25,26)15-9-4-3-5-10-15)16-12-24(23-21-16)14-8-6-7-13(20)11-14/h3-12,17-18,22H,1-2H3/t17-,18+/m0/s1.
What are the key properties of N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[1-(3-fluorophenyl)triazol-4-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 162346157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).