N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide

C20H31NO2S — CID 3670403

IUPACN-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCCC1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C20H31NO2S/c1-7-13-21(19-11-9-8-10-12-19)24(22,23)20-17(5)15(3)14(2)16(4)18(20)6/h7,19H,1,8-13H2,2-6H3
InChIKeyMPSZHZYRRZVFLT-UHFFFAOYSA-N
MW349.54 g/mol
LogP4.74
Rot. Bonds5

About N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide

N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 3670403) has the molecular formula C20H31NO2S and a molecular weight of 349.54 g/mol. Its IUPAC name is N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID3670403
Molecular FormulaC20H31NO2S
Molecular Weight349.54 g/mol
Exact Mass349.21
IUPAC NameN-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCCC1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C20H31NO2S/c1-7-13-21(19-11-9-8-10-12-19)24(22,23)20-17(5)15(3)14(2)16(4)18(20)6/h7,19H,1,8-13H2,2-6H3
InChIKeyMPSZHZYRRZVFLT-UHFFFAOYSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404
3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 61115680
2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide
CID 61114170
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide
CID 102754612
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 60950243
4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528239
3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 91670159
4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 106833564
N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide
CID 115887203

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide (CID 3670403) is N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C1CCCCC1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is MPSZHZYRRZVFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2S/c1-7-13-21(19-11-9-8-10-12-19)24(22,23)20-17(5)15(3)14(2)16(4)18(20)6/h7,19H,1,8-13H2,2-6H3.
What are the key properties of N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide?
N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 349.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 3670403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).