4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C23H22N4O3S — CID 141009707

IUPAC4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2cn(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H22N4O3S/c1-26-17-22(23(25-26)19-8-4-3-5-9-19)27(16-18-7-6-14-24-15-18)31(28,29)21-12-10-20(30-2)11-13-21/h3-15,17H,16H2,1-2H3
InChIKeyWAELWHWFLGZMNW-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.89
Rot. Bonds7

About 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 141009707) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID141009707
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2cn(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H22N4O3S/c1-26-17-22(23(25-26)19-8-4-3-5-9-19)27(16-18-7-6-14-24-15-18)31(28,29)21-12-10-20(30-2)11-13-21/h3-15,17H,16H2,1-2H3
InChIKeyWAELWHWFLGZMNW-UHFFFAOYSA-N
XLogP3.89
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549761
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
hydroxylamine;2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-8-phenylquinoline-3-carboxylic acid
CID 70072848
3-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549774
7-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 54383718
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
3-formyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]benzoic acid
CID 21310948
N-benzyl-N-(4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 55647315
methyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzoate
CID 70055629
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
N-(2-cyanoethyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4825697
4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxylic acid
CID 54403109

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 141009707) is 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2cn(C)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is WAELWHWFLGZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-26-17-22(23(25-26)19-8-4-3-5-9-19)27(16-18-7-6-14-24-15-18)31(28,29)21-12-10-20(30-2)11-13-21/h3-15,17H,16H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methyl-3-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 141009707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).