N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide

C19H29NO2S — CID 177389248

IUPACN-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide
SMILESC=CCN(c1ccccc1C(C)(C)C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C19H29NO2S/c1-5-15-20(23(21,22)16-11-7-6-8-12-16)18-14-10-9-13-17(18)19(2,3)4/h5,9-10,13-14,16H,1,6-8,11-12,15H2,2-4H3
InChIKeyDZXLRRSPLGNBBK-UHFFFAOYSA-N
MW335.51 g/mol
LogP4.64
Rot. Bonds5

About N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide

N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide (PubChem CID 177389248) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide
PubChem CID177389248
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC NameN-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide
SMILESC=CCN(c1ccccc1C(C)(C)C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C19H29NO2S/c1-5-15-20(23(21,22)16-11-7-6-8-12-16)18-14-10-9-13-17(18)19(2,3)4/h5,9-10,13-14,16H,1,6-8,11-12,15H2,2-4H3
InChIKeyDZXLRRSPLGNBBK-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
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-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide?
The IUPAC name of N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide (CID 177389248) is N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide is C=CCN(c1ccccc1C(C)(C)C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide?
The InChIKey is DZXLRRSPLGNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-5-15-20(23(21,22)16-11-7-6-8-12-16)18-14-10-9-13-17(18)19(2,3)4/h5,9-10,13-14,16H,1,6-8,11-12,15H2,2-4H3.
What are the key properties of N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide?
N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide has a molecular weight of 335.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide is sourced from PubChem (CID 177389248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).