N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide

C14H21NO2S — CID 6375331

IUPACN-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide
SMILESCCCC/C=C/CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-3-4-5-6-10-13-15(2)18(16,17)14-11-8-7-9-12-14/h6-12H,3-5,13H2,1-2H3/b10-6+
InChIKeyYBRUDGZOCFFSBQ-UXBLZVDNSA-N
MW267.39 g/mol
LogP3.05
Rot. Bonds7

About N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide

N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide (PubChem CID 6375331) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide
PubChem CID6375331
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide
SMILESCCCC/C=C/CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-3-4-5-6-10-13-15(2)18(16,17)14-11-8-7-9-12-14/h6-12H,3-5,13H2,1-2H3/b10-6+
InChIKeyYBRUDGZOCFFSBQ-UXBLZVDNSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1,1-difluorohept-2-enyl]sulfonylbenzene
CID 16744218
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
[(E)-non-3-enyl] benzenesulfonate
CID 102487248
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
[(Z)-octadec-9-enyl] benzenesulfonate
CID 87391110
N-[(Z)-non-1-enyl]benzenesulfonamide
CID 57205320
N,N-dipropylbenzenesulfonamide
CID 4053954
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide (CID 6375331) is N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide is CCCC/C=C/CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide?
The InChIKey is YBRUDGZOCFFSBQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-4-5-6-10-13-15(2)18(16,17)14-11-8-7-9-12-14/h6-12H,3-5,13H2,1-2H3/b10-6+.
What are the key properties of N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide?
N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 6375331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).