3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C14H20N4O2S — CID 61461304

IUPAC3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)NCCn2cccn2)c1
InChIInChI=1S/C14H20N4O2S/c1-12(15-2)13-5-3-6-14(11-13)21(19,20)17-8-10-18-9-4-7-16-18/h3-7,9,11-12,15,17H,8,10H2,1-2H3
InChIKeyALMNRHFDQGDNIE-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.14
Rot. Bonds7

About 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 61461304) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID61461304
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)NCCn2cccn2)c1
InChIInChI=1S/C14H20N4O2S/c1-12(15-2)13-5-3-6-14(11-13)21(19,20)17-8-10-18-9-4-7-16-18/h3-7,9,11-12,15,17H,8,10H2,1-2H3
InChIKeyALMNRHFDQGDNIE-UHFFFAOYSA-N
XLogP1.14
TPSA76.02 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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
3-[1-(methylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957668
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106419481
3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
CID 54951683
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 61461304) is 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is CNC(C)c1cccc(S(=O)(=O)NCCn2cccn2)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is ALMNRHFDQGDNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-12(15-2)13-5-3-6-14(11-13)21(19,20)17-8-10-18-9-4-7-16-18/h3-7,9,11-12,15,17H,8,10H2,1-2H3.
What are the key properties of 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61461304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).