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

C24H32N4O2S — CID 58561167

IUPAC4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(-c3ccccc3CN(C)C)cc2)c(CC(C)C)nn1C
InChIInChI=1S/C24H32N4O2S/c1-17(2)15-23-24(18(3)28(6)25-23)26-31(29,30)21-13-11-19(12-14-21)22-10-8-7-9-20(22)16-27(4)5/h7-14,17,26H,15-16H2,1-6H3
InChIKeyDDBJZLLZHMCDNB-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.46
Rot. Bonds8

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

4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 58561167) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID58561167
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(-c3ccccc3CN(C)C)cc2)c(CC(C)C)nn1C
InChIInChI=1S/C24H32N4O2S/c1-17(2)15-23-24(18(3)28(6)25-23)26-31(29,30)21-13-11-19(12-14-21)22-10-8-7-9-20(22)16-27(4)5/h7-14,17,26H,15-16H2,1-6H3
InChIKeyDDBJZLLZHMCDNB-UHFFFAOYSA-N
XLogP4.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide (CID 58561167) is 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccc(-c3ccccc3CN(C)C)cc2)c(CC(C)C)nn1C.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is DDBJZLLZHMCDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-17(2)15-23-24(18(3)28(6)25-23)26-31(29,30)21-13-11-19(12-14-21)22-10-8-7-9-20(22)16-27(4)5/h7-14,17,26H,15-16H2,1-6H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide?
4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 440.61 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 58561167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).