3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide

C12H15ClN4O2S — CID 104617199

IUPAC3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(C)c(Cl)c(N)c1
InChIInChI=1S/C12H15ClN4O2S/c1-3-8-6-15-16-12(8)17-20(18,19)9-4-7(2)11(13)10(14)5-9/h4-6H,3,14H2,1-2H3,(H2,15,16,17)
InChIKeyOPOUCYMCQSSWJL-UHFFFAOYSA-N
MW314.80 g/mol
LogP2.32
Rot. Bonds4

About 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide

3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide (PubChem CID 104617199) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
PubChem CID104617199
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(C)c(Cl)c(N)c1
InChIInChI=1S/C12H15ClN4O2S/c1-3-8-6-15-16-12(8)17-20(18,19)9-4-7(2)11(13)10(14)5-9/h4-6H,3,14H2,1-2H3,(H2,15,16,17)
InChIKeyOPOUCYMCQSSWJL-UHFFFAOYSA-N
XLogP2.32
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617270
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
CID 104617205
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
3-amino-4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylbenzenesulfonamide
CID 106368919
3-amino-4-chloro-5-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386905
N-(4-ethyl-1H-pyrazol-5-yl)-5-fluoropyridine-3-sulfonamide
CID 113433882
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
3-amino-4-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzenesulfonamide
CID 107864427

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide (CID 104617199) is 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1cc(C)c(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide?
The InChIKey is OPOUCYMCQSSWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-3-8-6-15-16-12(8)17-20(18,19)9-4-7(2)11(13)10(14)5-9/h4-6H,3,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide?
3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide has a molecular weight of 314.80 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 104617199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).