N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide

C13H16FN5O2S — CID 56789908

IUPACN-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccc(F)cc2)n[nH]1)N1CCCC1
InChIInChI=1S/C13H16FN5O2S/c14-11-5-3-10(4-6-11)13-16-12(17-18-13)9-15-22(20,21)19-7-1-2-8-19/h3-6,15H,1-2,7-9H2,(H,16,17,18)
InChIKeyNZRSHDMAWKHCMM-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.04
Rot. Bonds5

About N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide

N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 56789908) has the molecular formula C13H16FN5O2S and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID56789908
Molecular FormulaC13H16FN5O2S
Molecular Weight325.37 g/mol
Exact Mass325.10
IUPAC NameN-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccc(F)cc2)n[nH]1)N1CCCC1
InChIInChI=1S/C13H16FN5O2S/c14-11-5-3-10(4-6-11)13-16-12(17-18-13)9-15-22(20,21)19-7-1-2-8-19/h3-6,15H,1-2,7-9H2,(H,16,17,18)
InChIKeyNZRSHDMAWKHCMM-UHFFFAOYSA-N
XLogP1.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide
CID 46958763
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N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-fluoroaniline
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3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
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N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(2-methylpyrrolidin-1-yl)propane-1-sulfonamide
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N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
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5-butyl-3-(4-fluorophenyl)-1H-1,2,4-triazole
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N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-nitrobenzamide
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2-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylsulfamoyl]cyclobutane-1-carboxylic acid
CID 166395286
2-chloro-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-4-carboxamide
CID 56801937
3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide
CID 154802459
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide (CID 56789908) is N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCc1nc(-c2ccc(F)cc2)n[nH]1)N1CCCC1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is NZRSHDMAWKHCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2S/c14-11-5-3-10(4-6-11)13-16-12(17-18-13)9-15-22(20,21)19-7-1-2-8-19/h3-6,15H,1-2,7-9H2,(H,16,17,18).
What are the key properties of N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide?
N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 325.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 56789908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).