3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide

C13H18N4O2S — CID 43543231

IUPAC3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(C)c(C)c(N)c2)cn1
InChIInChI=1S/C13H18N4O2S/c1-4-17-8-11(7-15-17)16-20(18,19)12-5-9(2)10(3)13(14)6-12/h5-8,16H,4,14H2,1-3H3
InChIKeyKLNSSGRVBZZHLH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.90
Rot. Bonds4

About 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide

3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide (PubChem CID 43543231) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
PubChem CID43543231
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(C)c(C)c(N)c2)cn1
InChIInChI=1S/C13H18N4O2S/c1-4-17-8-11(7-15-17)16-20(18,19)12-5-9(2)10(3)13(14)6-12/h5-8,16H,4,14H2,1-3H3
InChIKeyKLNSSGRVBZZHLH-UHFFFAOYSA-N
XLogP1.90
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79896455
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491419
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide (CID 43543231) is 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(C)c(C)c(N)c2)cn1.
What is the InChIKey of 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is KLNSSGRVBZZHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-17-8-11(7-15-17)16-20(18,19)12-5-9(2)10(3)13(14)6-12/h5-8,16H,4,14H2,1-3H3.
What are the key properties of 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide?
3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43543231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).