N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide

C15H18N4O2S — CID 100749942

IUPACN-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(C1CC1)N(Cc1ccc(-n2cncn2)cc1)C1CC1
InChIInChI=1S/C15H18N4O2S/c20-22(21,15-7-8-15)19(14-5-6-14)9-12-1-3-13(4-2-12)18-11-16-10-17-18/h1-4,10-11,14-15H,5-9H2
InChIKeyRYPOWWNGJMVOOB-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.72
Rot. Bonds6

About N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide

N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide (PubChem CID 100749942) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide
PubChem CID100749942
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(C1CC1)N(Cc1ccc(-n2cncn2)cc1)C1CC1
InChIInChI=1S/C15H18N4O2S/c20-22(21,15-7-8-15)19(14-5-6-14)9-12-1-3-13(4-2-12)18-11-16-10-17-18/h1-4,10-11,14-15H,5-9H2
InChIKeyRYPOWWNGJMVOOB-UHFFFAOYSA-N
XLogP1.72
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[cyclopropyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]methyl]benzoic acid
CID 122034028
N-(piperidin-4-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 120852140
1-methyl-N-(2-phenylethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-4-amine
CID 46998495
1,4-bis[4-(1,2,4-triazol-1-yl)phenyl]piperazine
CID 141429794
2-methyl-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513030
5-oxo-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715480
1-(4-cyclohexyloxyphenyl)-1,2,4-triazole
CID 86214626
3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
CID 110901464
2-[cyclopropyl(ethyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 97099231
3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 111443773
1,1,3,3-tetramethyl-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111071801
1-[4-(2-methylbutyl)phenyl]-1,2,4-triazole
CID 146588062

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide (CID 100749942) is N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide is O=S(=O)(C1CC1)N(Cc1ccc(-n2cncn2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide?
The InChIKey is RYPOWWNGJMVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-22(21,15-7-8-15)19(14-5-6-14)9-12-1-3-13(4-2-12)18-11-16-10-17-18/h1-4,10-11,14-15H,5-9H2.
What are the key properties of N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide?
N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 100749942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).