3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide

C17H21N5O3S — CID 126782451

IUPAC3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
SMILESO=C(NC1CCc2ncnn2C1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C17H21N5O3S/c23-17(21-14-6-7-16-18-11-19-22(16)10-14)13-2-1-3-15(8-13)26(24,25)20-9-12-4-5-12/h1-3,8,11-12,14,20H,4-7,9-10H2,(H,21,23)
InChIKeyWTOUJZWXQMSEFE-UHFFFAOYSA-N
MW375.45 g/mol
LogP0.71
Rot. Bonds6

About 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide

3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (PubChem CID 126782451) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
PubChem CID126782451
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
SMILESO=C(NC1CCc2ncnn2C1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C17H21N5O3S/c23-17(21-14-6-7-16-18-11-19-22(16)10-14)13-2-1-3-15(8-13)26(24,25)20-9-12-4-5-12/h1-3,8,11-12,14,20H,4-7,9-10H2,(H,21,23)
InChIKeyWTOUJZWXQMSEFE-UHFFFAOYSA-N
XLogP0.71
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide with MolForge

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Related Compounds

3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126783508
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
CID 129381899
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37002294
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (CID 126782451) is 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is O=C(NC1CCc2ncnn2C1)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The InChIKey is WTOUJZWXQMSEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c23-17(21-14-6-7-16-18-11-19-22(16)10-14)13-2-1-3-15(8-13)26(24,25)20-9-12-4-5-12/h1-3,8,11-12,14,20H,4-7,9-10H2,(H,21,23).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 126782451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).