N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide

C25H34N4O2S — CID 58561363

IUPACN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCCN(C)Cc1cccc(-c2ccc(S(=O)(=O)Nc3c(CC(C)C)nn(C)c3C)cc2)c1
InChIInChI=1S/C25H34N4O2S/c1-7-28(5)17-20-9-8-10-22(16-20)21-11-13-23(14-12-21)32(30,31)27-25-19(4)29(6)26-24(25)15-18(2)3/h8-14,16,18,27H,7,15,17H2,1-6H3
InChIKeyRNPIDPYYMUAVOZ-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.85
Rot. Bonds9

About N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide

N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide (PubChem CID 58561363) has the molecular formula C25H34N4O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide
PubChem CID58561363
Molecular FormulaC25H34N4O2S
Molecular Weight454.64 g/mol
Exact Mass454.24
IUPAC NameN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCCN(C)Cc1cccc(-c2ccc(S(=O)(=O)Nc3c(CC(C)C)nn(C)c3C)cc2)c1
InChIInChI=1S/C25H34N4O2S/c1-7-28(5)17-20-9-8-10-22(16-20)21-11-13-23(14-12-21)32(30,31)27-25-19(4)29(6)26-24(25)15-18(2)3/h8-14,16,18,27H,7,15,17H2,1-6H3
InChIKeyRNPIDPYYMUAVOZ-UHFFFAOYSA-N
XLogP4.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide (CID 58561363) is N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide is CCN(C)Cc1cccc(-c2ccc(S(=O)(=O)Nc3c(CC(C)C)nn(C)c3C)cc2)c1.
What is the InChIKey of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
The InChIKey is RNPIDPYYMUAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2S/c1-7-28(5)17-20-9-8-10-22(16-20)21-11-13-23(14-12-21)32(30,31)27-25-19(4)29(6)26-24(25)15-18(2)3/h8-14,16,18,27H,7,15,17H2,1-6H3.
What are the key properties of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide?
N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide has a molecular weight of 454.64 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 58561363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).