N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide

C17H29NO2S — CID 23105585

IUPACN-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
SMILESCCCCC(CC)CN(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H29NO2S/c1-5-8-9-16(6-2)14-18(7-3)21(19,20)17-12-10-15(4)11-13-17/h10-13,16H,5-9,14H2,1-4H3
InChIKeyVJGZWYISHIJAIC-UHFFFAOYSA-N
MW311.49 g/mol
LogP4.22
Rot. Bonds9

About N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide

N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide (PubChem CID 23105585) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
PubChem CID23105585
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC NameN-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
SMILESCCCCC(CC)CN(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H29NO2S/c1-5-8-9-16(6-2)14-18(7-3)21(19,20)17-12-10-15(4)11-13-17/h10-13,16H,5-9,14H2,1-4H3
InChIKeyVJGZWYISHIJAIC-UHFFFAOYSA-N
XLogP4.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide (CID 23105585) is N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide is CCCCC(CC)CN(CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide?
The InChIKey is VJGZWYISHIJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-5-8-9-16(6-2)14-18(7-3)21(19,20)17-12-10-15(4)11-13-17/h10-13,16H,5-9,14H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide?
N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide has a molecular weight of 311.49 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylhexyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 23105585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).