3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C20H24N4O3S — CID 90588184

IUPAC3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCCn2ccc(-c3ccncc3)n2)cc1C
InChIInChI=1S/C20H24N4O3S/c1-3-14-27-20-5-4-18(15-16(20)2)28(25,26)22-11-13-24-12-8-19(23-24)17-6-9-21-10-7-17/h4-10,12,15,22H,3,11,13-14H2,1-2H3
InChIKeyOUPDRPPQZIJKQT-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.02
Rot. Bonds9

About 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide

3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 90588184) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID90588184
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCCn2ccc(-c3ccncc3)n2)cc1C
InChIInChI=1S/C20H24N4O3S/c1-3-14-27-20-5-4-18(15-16(20)2)28(25,26)22-11-13-24-12-8-19(23-24)17-6-9-21-10-7-17/h4-10,12,15,22H,3,11,13-14H2,1-2H3
InChIKeyOUPDRPPQZIJKQT-UHFFFAOYSA-N
XLogP3.02
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175
4-propan-2-yl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588149
3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588145
4-nitro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588155
4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588717
1-(3-methyl-4-propoxyphenyl)sulfonylimidazole
CID 6472325
2-bromo-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588186
2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588242
5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 71807866
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706
2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588125

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 90588184) is 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCCn2ccc(-c3ccncc3)n2)cc1C.
What is the InChIKey of 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is OUPDRPPQZIJKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-3-14-27-20-5-4-18(15-16(20)2)28(25,26)22-11-13-24-12-8-19(23-24)17-6-9-21-10-7-17/h4-10,12,15,22H,3,11,13-14H2,1-2H3.
What are the key properties of 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90588184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).