1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide

C10H9N5O2S — CID 55151849

IUPAC1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C10H9N5O2S/c11-5-8-2-1-3-9(4-8)6-18(16,17)15-10-12-7-13-14-10/h1-4,7H,6H2,(H2,12,13,14,15)
InChIKeyZUJLAHWSIQGUBR-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.62
Rot. Bonds4

About 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide

1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide (PubChem CID 55151849) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
PubChem CID55151849
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C10H9N5O2S/c11-5-8-2-1-3-9(4-8)6-18(16,17)15-10-12-7-13-14-10/h1-4,7H,6H2,(H2,12,13,14,15)
InChIKeyZUJLAHWSIQGUBR-UHFFFAOYSA-N
XLogP0.62
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide
CID 104620961
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
CID 102822237
N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 116798729
4-(1H-1,2,4-triazol-5-ylsulfamoylmethyl)benzoic acid
CID 63664993
5-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid
CID 43475040
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43604837
1-(3-cyanophenyl)-N-(3-prop-2-enoxyphenyl)methanesulfonamide
CID 84598578
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
3-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid
CID 43443051
1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide
CID 87032785

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide (CID 55151849) is 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide is N#Cc1cccc(CS(=O)(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide?
The InChIKey is ZUJLAHWSIQGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-5-8-2-1-3-9(4-8)6-18(16,17)15-10-12-7-13-14-10/h1-4,7H,6H2,(H2,12,13,14,15).
What are the key properties of 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide?
1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide has a molecular weight of 263.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide is sourced from PubChem (CID 55151849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).