4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C19H22N4O2S — CID 58561234

IUPAC4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN)c2)cc1
InChIInChI=1S/C19H22N4O2S/c1-13-19(14(2)23(3)21-13)22-26(24,25)18-9-7-16(8-10-18)17-6-4-5-15(11-17)12-20/h4-11,22H,12,20H2,1-3H3
InChIKeyCLPBYHRNHCSBMR-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.96
Rot. Bonds5

About 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561234) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561234
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN)c2)cc1
InChIInChI=1S/C19H22N4O2S/c1-13-19(14(2)23(3)21-13)22-26(24,25)18-9-7-16(8-10-18)17-6-4-5-15(11-17)12-20/h4-11,22H,12,20H2,1-3H3
InChIKeyCLPBYHRNHCSBMR-UHFFFAOYSA-N
XLogP2.96
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dichloro-3'-[(Diethylamino)methyl]-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)biphenyl-4-Sulfonamide
CID 54669606
Hsp90-IN-27
CID 842058
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
US9156811, Ddd88558
CID 57402327
US9156811, Ddd86212
CID 58561096
US9156811, Ddd86470
CID 58561161
US9156811, Ddd88196
CID 58561193
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561234) is 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN)c2)cc1.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is CLPBYHRNHCSBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-19(14(2)23(3)21-13)22-26(24,25)18-9-7-16(8-10-18)17-6-4-5-15(11-17)12-20/h4-11,22H,12,20H2,1-3H3.
What are the key properties of 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).