4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide

C14H20N4O2S — CID 106996794

IUPAC4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC(C)Cn1cccn1
InChIInChI=1S/C14H20N4O2S/c1-11-8-13(9-15)4-5-14(11)21(19,20)17-12(2)10-18-7-3-6-16-18/h3-8,12,17H,9-10,15H2,1-2H3
InChIKeyFIQSVKPSXQVJOK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.02
Rot. Bonds6

About 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide

4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 106996794) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID106996794
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC(C)Cn1cccn1
InChIInChI=1S/C14H20N4O2S/c1-11-8-13(9-15)4-5-14(11)21(19,20)17-12(2)10-18-7-3-6-16-18/h3-8,12,17H,9-10,15H2,1-2H3
InChIKeyFIQSVKPSXQVJOK-UHFFFAOYSA-N
XLogP1.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106009441
1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
CID 61462630
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
CID 94024873
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 106996805
2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94024841
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328643

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide (CID 106996794) is 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NC(C)Cn1cccn1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is FIQSVKPSXQVJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-8-13(9-15)4-5-14(11)21(19,20)17-12(2)10-18-7-3-6-16-18/h3-8,12,17H,9-10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106996794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).