4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide

C16H20N2O2S — CID 107328484

IUPAC4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C16H20N2O2S/c1-4-17-15-10-12(2)16(13(3)11-15)21(19,20)18-14-8-6-5-7-9-14/h5-11,17-18H,4H2,1-3H3
InChIKeyFZKOIGJYAJVSPN-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.54
Rot. Bonds5

About 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide

4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide (PubChem CID 107328484) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
PubChem CID107328484
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C16H20N2O2S/c1-4-17-15-10-12(2)16(13(3)11-15)21(19,20)18-14-8-6-5-7-9-14/h5-11,17-18H,4H2,1-3H3
InChIKeyFZKOIGJYAJVSPN-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 107328677
4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 107328918
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
bis(N-ethylaniline);sulfuric acid
CID 172710683
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 107329086
bis(N-ethylaniline);sulfuric acid;dihydrate
CID 172803236
3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide
CID 107328689
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide (CID 107328484) is 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide?
The InChIKey is FZKOIGJYAJVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-17-15-10-12(2)16(13(3)11-15)21(19,20)18-14-8-6-5-7-9-14/h5-11,17-18H,4H2,1-3H3.
What are the key properties of 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide?
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 107328484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).