2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide

C12H16N4O2S — CID 106105497

IUPAC2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
SMILESCn1ccc(CCNc2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C12H16N4O2S/c1-16-9-7-10(15-16)6-8-14-11-4-2-3-5-12(11)19(13,17)18/h2-5,7,9,14H,6,8H2,1H3,(H2,13,17,18)
InChIKeyFFLGGKQRMFPGRM-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.72
Rot. Bonds5

About 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide

2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide (PubChem CID 106105497) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
PubChem CID106105497
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
SMILESCn1ccc(CCNc2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C12H16N4O2S/c1-16-9-7-10(15-16)6-8-14-11-4-2-3-5-12(11)19(13,17)18/h2-5,7,9,14H,6,8H2,1H3,(H2,13,17,18)
InChIKeyFFLGGKQRMFPGRM-UHFFFAOYSA-N
XLogP0.72
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
CID 102846547
3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 106104073
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 114143992
2-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 104626482
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 106104004
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 106106888
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106106257
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide (CID 106105497) is 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide is Cn1ccc(CCNc2ccccc2S(N)(=O)=O)n1.
What is the InChIKey of 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The InChIKey is FFLGGKQRMFPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-9-7-10(15-16)6-8-14-11-4-2-3-5-12(11)19(13,17)18/h2-5,7,9,14H,6,8H2,1H3,(H2,13,17,18).
What are the key properties of 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106105497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).