N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C11H13ClN4O2S — CID 114051879

IUPACN-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)19(17,18)15-10-6-13-5-4-9(10)12/h4-6,15H,1-3H3
InChIKeyLPWPOLBSRNYVLZ-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.89
Rot. Bonds3

About N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 114051879) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID114051879
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC NameN-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)19(17,18)15-10-6-13-5-4-9(10)12/h4-6,15H,1-3H3
InChIKeyLPWPOLBSRNYVLZ-UHFFFAOYSA-N
XLogP1.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-(5-chloro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062450
N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051868
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106063148
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823497
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
2,6-dichloro-4-isoquinolin-5-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 57397065

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 114051879) is N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is LPWPOLBSRNYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)19(17,18)15-10-6-13-5-4-9(10)12/h4-6,15H,1-3H3.
What are the key properties of N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 114051879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).