N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide

C21H26N4O3S — CID 46972372

IUPACN-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(N(Cc2cccnc2)S(=O)(=O)c2cn(CC(C)C)nc2C)cc1
InChIInChI=1S/C21H26N4O3S/c1-16(2)13-24-15-21(17(3)23-24)29(26,27)25(14-18-6-5-11-22-12-18)19-7-9-20(28-4)10-8-19/h5-12,15-16H,13-14H2,1-4H3
InChIKeyNFKIMTXQEXJYNO-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.65
Rot. Bonds8

About N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide

N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 46972372) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID46972372
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(N(Cc2cccnc2)S(=O)(=O)c2cn(CC(C)C)nc2C)cc1
InChIInChI=1S/C21H26N4O3S/c1-16(2)13-24-15-21(17(3)23-24)29(26,27)25(14-18-6-5-11-22-12-18)19-7-9-20(28-4)10-8-19/h5-12,15-16H,13-14H2,1-4H3
InChIKeyNFKIMTXQEXJYNO-UHFFFAOYSA-N
XLogP3.65
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide
CID 46982024
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
N-benzyl-3-methyl-N-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282442
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 141009707
N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10157712
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (CID 46972372) is N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2cn(CC(C)C)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is NFKIMTXQEXJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-16(2)13-24-15-21(17(3)23-24)29(26,27)25(14-18-6-5-11-22-12-18)19-7-9-20(28-4)10-8-19/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 46972372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).