4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide

C16H28N2O2S — CID 106331206

IUPAC4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NC(C)(CC)CC)c(C)c1
InChIInChI=1S/C16H28N2O2S/c1-7-16(6,8-2)18-21(19,20)15-12(4)10-14(17-9-3)11-13(15)5/h10-11,17-18H,7-9H2,1-6H3
InChIKeyNYXJEIJJLSWNNB-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.59
Rot. Bonds7

About 4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide

4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106331206) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106331206
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NC(C)(CC)CC)c(C)c1
InChIInChI=1S/C16H28N2O2S/c1-7-16(6,8-2)18-21(19,20)15-12(4)10-14(17-9-3)11-13(15)5/h10-11,17-18H,7-9H2,1-6H3
InChIKeyNYXJEIJJLSWNNB-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213
4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106328497
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 107328918
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 107329086
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661
N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
CID 107329148
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
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-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106331206) is 4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)NC(C)(CC)CC)c(C)c1.
What is the InChIKey of 4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is NYXJEIJJLSWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-7-16(6,8-2)18-21(19,20)15-12(4)10-14(17-9-3)11-13(15)5/h10-11,17-18H,7-9H2,1-6H3.
What are the key properties of 4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.59, 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-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106331206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).