3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide

C13H18N4O2S — CID 106044391

IUPAC3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2cccc(CN)c2)cnn1C
InChIInChI=1S/C13H18N4O2S/c1-10-12(8-15-17(10)2)9-16-20(18,19)13-5-3-4-11(6-13)7-14/h3-6,8,16H,7,9,14H2,1-2H3
InChIKeySYOQNRZSUWFZDQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.67
Rot. Bonds5

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

3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 106044391) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID106044391
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2cccc(CN)c2)cnn1C
InChIInChI=1S/C13H18N4O2S/c1-10-12(8-15-17(10)2)9-16-20(18,19)13-5-3-4-11(6-13)7-14/h3-6,8,16H,7,9,14H2,1-2H3
InChIKeySYOQNRZSUWFZDQ-UHFFFAOYSA-N
XLogP0.67
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044385
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
4-(bromomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106041696
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 106033808
4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide
CID 106833536
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]benzenecarbothioamide
CID 106035645
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106058641
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106049660
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106033911

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 106044391) is 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1c(CNS(=O)(=O)c2cccc(CN)c2)cnn1C.
What is the InChIKey of 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is SYOQNRZSUWFZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-12(8-15-17(10)2)9-16-20(18,19)13-5-3-4-11(6-13)7-14/h3-6,8,16H,7,9,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide?
3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106044391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).