3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide

C12H16N4O2S — CID 43540299

IUPAC3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C12H16N4O2S/c1-9(13-2)10-4-3-5-12(6-10)19(17,18)16-11-7-14-15-8-11/h3-9,13,16H,1-2H3,(H,14,15)
InChIKeyAAGAFYUBNPHJCN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.49
Rot. Bonds5

About 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide

3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43540299) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43540299
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C12H16N4O2S/c1-9(13-2)10-4-3-5-12(6-10)19(17,18)16-11-7-14-15-8-11/h3-9,13,16H,1-2H3,(H,14,15)
InChIKeyAAGAFYUBNPHJCN-UHFFFAOYSA-N
XLogP1.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532769
3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 43506641
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 43506999
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
2-(methylamino)-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62145901
3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43540299) is 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide is CNC(C)c1cccc(S(=O)(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is AAGAFYUBNPHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9(13-2)10-4-3-5-12(6-10)19(17,18)16-11-7-14-15-8-11/h3-9,13,16H,1-2H3,(H,14,15).
What are the key properties of 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide?
3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43540299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).