2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide

C14H20N4O2S — CID 43543691

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCCn1cc(Nc2ccccc2S(=O)(=O)NC(C)C)cn1
InChIInChI=1S/C14H20N4O2S/c1-4-18-10-12(9-15-18)16-13-7-5-6-8-14(13)21(19,20)17-11(2)3/h5-11,16-17H,4H2,1-3H3
InChIKeyCQQUWUIAAMXSKT-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.33
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide

2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 43543691) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID43543691
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCCn1cc(Nc2ccccc2S(=O)(=O)NC(C)C)cn1
InChIInChI=1S/C14H20N4O2S/c1-4-18-10-12(9-15-18)16-13-7-5-6-8-14(13)21(19,20)17-11(2)3/h5-11,16-17H,4H2,1-3H3
InChIKeyCQQUWUIAAMXSKT-UHFFFAOYSA-N
XLogP2.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide
CID 43543696
N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine
CID 43543686
N-propan-2-yl-2-(pyridin-4-ylamino)benzenesulfonamide
CID 135368815
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine
CID 62904622
2-[(1-ethylpyrazol-4-yl)amino]benzoic acid
CID 62231031
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
N-(1-ethylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 39836912
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid
CID 79790485
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide (CID 43543691) is 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide is CCn1cc(Nc2ccccc2S(=O)(=O)NC(C)C)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CQQUWUIAAMXSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-18-10-12(9-15-18)16-13-7-5-6-8-14(13)21(19,20)17-11(2)3/h5-11,16-17H,4H2,1-3H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide?
2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43543691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).