5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide

C19H21ClN4O2S — CID 55987992

IUPAC5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C19H21ClN4O2S/c1-14-7-4-5-9-17(14)13-24(12-16-8-6-10-21-11-16)27(25,26)18-15(2)22-23(3)19(18)20/h4-11H,12-13H2,1-3H3
InChIKeyLHAXPIPGMBQOPD-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.48
Rot. Bonds6

About 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 55987992) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID55987992
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C19H21ClN4O2S/c1-14-7-4-5-9-17(14)13-24(12-16-8-6-10-21-11-16)27(25,26)18-15(2)22-23(3)19(18)20/h4-11H,12-13H2,1-3H3
InChIKeyLHAXPIPGMBQOPD-UHFFFAOYSA-N
XLogP3.48
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 4984513
3-chloro-4-(difluoromethoxy)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 55987865
2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
CID 113067370
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55988635
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 113067334
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1168813
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 52725239
2-chloro-3-[[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenol
CID 154859092
3-(diethylsulfamoyl)-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983350

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (CID 55987992) is 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is LHAXPIPGMBQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-14-7-4-5-9-17(14)13-24(12-16-8-6-10-21-11-16)27(25,26)18-15(2)22-23(3)19(18)20/h4-11H,12-13H2,1-3H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 404.92 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55987992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).