5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C14H20N4O2S — CID 106054562

IUPAC5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C14H20N4O2S/c1-2-13-5-4-12(11-15)10-14(13)21(19,20)17-7-9-18-8-3-6-16-18/h3-6,8,10,17H,2,7,9,11,15H2,1H3
InChIKeyPZIVAGCJFQJOST-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.88
Rot. Bonds7

About 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 106054562) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID106054562
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C14H20N4O2S/c1-2-13-5-4-12(11-15)10-14(13)21(19,20)17-7-9-18-8-3-6-16-18/h3-6,8,10,17H,2,7,9,11,15H2,1H3
InChIKeyPZIVAGCJFQJOST-UHFFFAOYSA-N
XLogP0.88
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607
5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051201
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
5-(aminomethyl)-2-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106016248
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 106054562) is 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is CCc1ccc(CN)cc1S(=O)(=O)NCCn1cccn1.
What is the InChIKey of 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is PZIVAGCJFQJOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-13-5-4-12(11-15)10-14(13)21(19,20)17-7-9-18-8-3-6-16-18/h3-6,8,10,17H,2,7,9,11,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106054562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).