N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide

C19H29NO2S — CID 3670404

IUPACN-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCCC1)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H29NO2S/c1-6-12-20(18-10-8-7-9-11-18)23(21,22)19-16(4)14(2)13-15(3)17(19)5/h6,13,18H,1,7-12H2,2-5H3
InChIKeyUWWYUEVYHHUOKC-UHFFFAOYSA-N
MW335.51 g/mol
LogP4.43
Rot. Bonds5

About N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide

N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 3670404) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID3670404
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC NameN-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCCC1)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H29NO2S/c1-6-12-20(18-10-8-7-9-11-18)23(21,22)19-16(4)14(2)13-15(3)17(19)5/h6,13,18H,1,7-12H2,2-5H3
InChIKeyUWWYUEVYHHUOKC-UHFFFAOYSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide (CID 3670404) is N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C1CCCCC1)S(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is UWWYUEVYHHUOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-6-12-20(18-10-8-7-9-11-18)23(21,22)19-16(4)14(2)13-15(3)17(19)5/h6,13,18H,1,7-12H2,2-5H3.
What are the key properties of N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide?
N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 335.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 3670404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).