2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide

C11H15N5O2S — CID 115320081

IUPAC2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide
SMILESNc1cnn(CCNc2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C11H15N5O2S/c12-9-7-15-16(8-9)6-5-14-10-3-1-2-4-11(10)19(13,17)18/h1-4,7-8,14H,5-6,12H2,(H2,13,17,18)
InChIKeyBPOFVUCDJKPYTH-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.22
Rot. Bonds5

About 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide

2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide (PubChem CID 115320081) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide
PubChem CID115320081
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide
SMILESNc1cnn(CCNc2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C11H15N5O2S/c12-9-7-15-16(8-9)6-5-14-10-3-1-2-4-11(10)19(13,17)18/h1-4,7-8,14H,5-6,12H2,(H2,13,17,18)
InChIKeyBPOFVUCDJKPYTH-UHFFFAOYSA-N
XLogP0.22
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methylamino]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155531889
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
US9156811, Ddd71294
CID 57391848
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735
methanesulfonic acid, ((1-phenylpyrazol-4-yl)amino)-, monosodium salt
CID 23663457
1-phenyl-1H-pyrazole-5-sulfonamide
CID 14049160
1-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 43140085

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide (CID 115320081) is 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide is Nc1cnn(CCNc2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide?
The InChIKey is BPOFVUCDJKPYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-9-7-15-16(8-9)6-5-14-10-3-1-2-4-11(10)19(13,17)18/h1-4,7-8,14H,5-6,12H2,(H2,13,17,18).
What are the key properties of 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide?
2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 115320081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).