4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C14H20N4O2S — CID 107328677

IUPAC4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2)c(C)c1
InChIInChI=1S/C14H20N4O2S/c1-5-15-12-6-10(2)14(11(3)7-12)21(19,20)17-13-8-16-18(4)9-13/h6-9,15,17H,5H2,1-4H3
InChIKeySKZGRLVIOYFWOD-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.27
Rot. Bonds5

About 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 107328677) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID107328677
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2)c(C)c1
InChIInChI=1S/C14H20N4O2S/c1-5-15-12-6-10(2)14(11(3)7-12)21(19,20)17-13-8-16-18(4)9-13/h6-9,15,17H,5H2,1-4H3
InChIKeySKZGRLVIOYFWOD-UHFFFAOYSA-N
XLogP2.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-(1-methylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62146781
2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 62146252
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43534674
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 107329086
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644624
4-tert-butyl-2,6-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 52528885
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 107328677) is 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2)c(C)c1.
What is the InChIKey of 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is SKZGRLVIOYFWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-15-12-6-10(2)14(11(3)7-12)21(19,20)17-13-8-16-18(4)9-13/h6-9,15,17H,5H2,1-4H3.
What are the key properties of 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 107328677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).