N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide

C24H32N4O2S — CID 58561331

IUPACN-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
SMILESCCCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C24H32N4O2S/c1-6-7-11-23-24(18(2)28(5)25-23)26-31(29,30)22-14-12-20(13-15-22)21-10-8-9-19(16-21)17-27(3)4/h8-10,12-16,26H,6-7,11,17H2,1-5H3
InChIKeyNZJYJEBHJWAERL-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.60
Rot. Bonds9

About N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide

N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide (PubChem CID 58561331) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
PubChem CID58561331
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
SMILESCCCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C24H32N4O2S/c1-6-7-11-23-24(18(2)28(5)25-23)26-31(29,30)22-14-12-20(13-15-22)21-10-8-9-19(16-21)17-27(3)4/h8-10,12-16,26H,6-7,11,17H2,1-5H3
InChIKeyNZJYJEBHJWAERL-UHFFFAOYSA-N
XLogP4.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[[ethyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 58561363
4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 58561364
N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide
CID 58561095
4-butyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771728
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
CID 45137889
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 58561353
1,3,5-trimethyl-N-[[4-[3-(1-methylimidazol-2-yl)phenyl]phenyl]sulfonylmethyl]pyrazol-4-amine
CID 129173867
1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
CID 82540027
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 91650299
2-[4-[[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-methylidene-oxo-λ6-sulfanyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 143641628

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide (CID 58561331) is N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide is CCCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1.
What is the InChIKey of N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide?
The InChIKey is NZJYJEBHJWAERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-6-7-11-23-24(18(2)28(5)25-23)26-31(29,30)22-14-12-20(13-15-22)21-10-8-9-19(16-21)17-27(3)4/h8-10,12-16,26H,6-7,11,17H2,1-5H3.
What are the key properties of N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide?
N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide has a molecular weight of 440.61 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 58561331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).