4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide

C8H11ClN6O2S — CID 106315072

IUPAC4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H11ClN6O2S/c1-14(4-7-10-5-11-13-7)18(16,17)8-6(9)3-12-15(8)2/h3,5H,4H2,1-2H3,(H,10,11,13)
InChIKeyKNNJTJRYKKAPND-UHFFFAOYSA-N
MW290.74 g/mol
LogP0.01
Rot. Bonds4

About 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide

4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide (PubChem CID 106315072) has the molecular formula C8H11ClN6O2S and a molecular weight of 290.74 g/mol. Its IUPAC name is 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide
PubChem CID106315072
Molecular FormulaC8H11ClN6O2S
Molecular Weight290.74 g/mol
Exact Mass290.04
IUPAC Name4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H11ClN6O2S/c1-14(4-7-10-5-11-13-7)18(16,17)8-6(9)3-12-15(8)2/h3,5H,4H2,1-2H3,(H,10,11,13)
InChIKeyKNNJTJRYKKAPND-UHFFFAOYSA-N
XLogP0.01
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 105358991
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
N-[(3-aminophenyl)methyl]-4-chloro-N,1-dimethylpyrazole-5-sulfonamide
CID 106313731
4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide
CID 106150868
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 107652046
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 106139180
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
CID 64517066
3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 64510009
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 64518286
5-bromo-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 79988088
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64511818
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide
CID 64516785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide (CID 106315072) is 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide?
The InChIKey is KNNJTJRYKKAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6O2S/c1-14(4-7-10-5-11-13-7)18(16,17)8-6(9)3-12-15(8)2/h3,5H,4H2,1-2H3,(H,10,11,13).
What are the key properties of 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide?
4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide has a molecular weight of 290.74 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106315072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).