2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C12H16N4O2S — CID 62146252

IUPAC2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)Nc1cnn(C)c1
InChIInChI=1S/C12H16N4O2S/c1-3-13-11-6-4-5-7-12(11)19(17,18)15-10-8-14-16(2)9-10/h4-9,13,15H,3H2,1-2H3
InChIKeyCCHKBAHHZAPHNL-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.65
Rot. Bonds5

About 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide

2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 62146252) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID62146252
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)Nc1cnn(C)c1
InChIInChI=1S/C12H16N4O2S/c1-3-13-11-6-4-5-7-12(11)19(17,18)15-10-8-14-16(2)9-10/h4-9,13,15H,3H2,1-2H3
InChIKeyCCHKBAHHZAPHNL-UHFFFAOYSA-N
XLogP1.65
TPSA76.02 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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 107328677
2-(ethylamino)-N-(1-methylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62146781
3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 47345276
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
N-(2-ethylphenyl)-1-methylpyrazol-4-amine
CID 125450471
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 62153791
N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 107370419
2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide
CID 71852241
3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305421
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107642976

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 62146252) is 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)Nc1cnn(C)c1.
What is the InChIKey of 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is CCHKBAHHZAPHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-13-11-6-4-5-7-12(11)19(17,18)15-10-8-14-16(2)9-10/h4-9,13,15H,3H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62146252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).