N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide

C16H18FN5O3S — CID 91911464

IUPACN-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3)C2)nn1
InChIInChI=1S/C16H18FN5O3S/c17-12-2-1-3-14(6-12)26(24,25)21-8-13(9-21)22-10-15(19-20-22)16(23)18-7-11-4-5-11/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,23)
InChIKeyIKIVQRSWQKBOPG-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.80
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide

N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide (PubChem CID 91911464) has the molecular formula C16H18FN5O3S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide
PubChem CID91911464
Molecular FormulaC16H18FN5O3S
Molecular Weight379.42 g/mol
Exact Mass379.11
IUPAC NameN-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3)C2)nn1
InChIInChI=1S/C16H18FN5O3S/c17-12-2-1-3-14(6-12)26(24,25)21-8-13(9-21)22-10-15(19-20-22)16(23)18-7-11-4-5-11/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,23)
InChIKeyIKIVQRSWQKBOPG-UHFFFAOYSA-N
XLogP0.80
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-(2-oxo-2-(3-(4-((2-oxopyrrolidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)ethyl)benzenesulfonamide
CID 91630002
N-Benzyl-1-[1-(propane-2-sulfonyl)azetidin-3-YL]-1H-1,2,3-triazole-4-carboxamide
CID 91911448
N-Benzyl-1-[1-(propane-1-sulfonyl)azetidin-3-YL]-1H-1,2,3-triazole-4-carboxamide
CID 124054785
N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide
CID 126464672
3-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
CID 126466337
1-(cyclobutylmethyl)-N-(2-fluorophenyl)sulfonyltriazole-4-carboxamide
CID 172398255
N-(3,5-difluorophenyl)sulfonyl-1-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 172398450
N-(1-((4-acetamidophenyl)sulfonyl)piperidin-4-yl)-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
CID 132227794
N-cyclopropyl-1-(cis-4-{[(2,4-difluorophenyl)sulfonyl]amino}cyclohexyl)-1H-1,2,3-triazole-4-carboxamide
CID 25291081
N,N-diethyl-1-(cis-4-{[(4-fluorophenyl)sulfonyl]amino}cyclohexyl)-1H-1,2,3-triazole-4-carboxamide
CID 25291131
N-{3-[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]propyl}-2-(trifluoromethyl)benzenesulfonamide
CID 25295789
4-fluoro-N-methyl-N-{2-[4-(1-piperidinylcarbonyl)-1H-1,2,3-triazol-1-yl]ethyl}benzenesulfonamide
CID 26275727

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide (CID 91911464) is N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide is O=C(NCC1CC1)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3)C2)nn1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide?
The InChIKey is IKIVQRSWQKBOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3S/c17-12-2-1-3-14(6-12)26(24,25)21-8-13(9-21)22-10-15(19-20-22)16(23)18-7-11-4-5-11/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,23).
What are the key properties of N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide?
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)sulfonylazetidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 91911464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).