5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide

C12H15ClN4O2S — CID 4984513

IUPAC5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N(C)Cc1cccnc1
InChIInChI=1S/C12H15ClN4O2S/c1-9-11(12(13)17(3)15-9)20(18,19)16(2)8-10-5-4-6-14-7-10/h4-7H,8H2,1-3H3
InChIKeyNYSXCNANBQEBQZ-UHFFFAOYSA-N
MW314.80 g/mol
LogP1.60
Rot. Bonds4

About 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide

5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 4984513) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID4984513
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N(C)Cc1cccnc1
InChIInChI=1S/C12H15ClN4O2S/c1-9-11(12(13)17(3)15-9)20(18,19)16(2)8-10-5-4-6-14-7-10/h4-7H,8H2,1-3H3
InChIKeyNYSXCNANBQEBQZ-UHFFFAOYSA-N
XLogP1.60
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 55987992
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 55731451
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 62064016
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 47304245
N-[(4-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 62061376
N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 44822193

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (CID 4984513) is 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)Cc1cccnc1.
What is the InChIKey of 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is NYSXCNANBQEBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-9-11(12(13)17(3)15-9)20(18,19)16(2)8-10-5-4-6-14-7-10/h4-7H,8H2,1-3H3.
What are the key properties of 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 314.80 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 4984513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).