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

C16H28N2O2S — CID 107328661

IUPAC4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NC(C)CC(C)C)c(C)c1
InChIInChI=1S/C16H28N2O2S/c1-7-17-15-9-12(4)16(13(5)10-15)21(19,20)18-14(6)8-11(2)3/h9-11,14,17-18H,7-8H2,1-6H3
InChIKeyXDFFKUGLOJMQSD-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.45
Rot. Bonds7

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

4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 107328661) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID107328661
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NC(C)CC(C)C)c(C)c1
InChIInChI=1S/C16H28N2O2S/c1-7-17-15-9-12(4)16(13(5)10-15)21(19,20)18-14(6)8-11(2)3/h9-11,14,17-18H,7-8H2,1-6H3
InChIKeyXDFFKUGLOJMQSD-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107326702
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 107328140
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107329229
4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 107328918
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 107329086
3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide
CID 107328689

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 107328661) is 4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)NC(C)CC(C)C)c(C)c1.
What is the InChIKey of 4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is XDFFKUGLOJMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-7-17-15-9-12(4)16(13(5)10-15)21(19,20)18-14(6)8-11(2)3/h9-11,14,17-18H,7-8H2,1-6H3.
What are the key properties of 4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.45, 7 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-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107328661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).