1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide

C14H21NO3S — CID 146494478

IUPAC1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide
SMILESC=CCCC(CCc1ccc(OC)cc1)S(N)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-3-4-5-14(19(15,16)17)11-8-12-6-9-13(18-2)10-7-12/h3,6-7,9-10,14H,1,4-5,8,11H2,2H3,(H2,15,16,17)
InChIKeyQRRXOASHYIYVOI-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.25
Rot. Bonds8

About 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide

1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide (PubChem CID 146494478) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide
PubChem CID146494478
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide
SMILESC=CCCC(CCc1ccc(OC)cc1)S(N)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-3-4-5-14(19(15,16)17)11-8-12-6-9-13(18-2)10-7-12/h3,6-7,9-10,14H,1,4-5,8,11H2,2H3,(H2,15,16,17)
InChIKeyQRRXOASHYIYVOI-UHFFFAOYSA-N
XLogP2.25
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methyloct-7-ene-4-sulfonamide
CID 130367372
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine
CID 105205438
9-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
CID 172862404
N,N-bis[2-(4-methoxyphenyl)ethyl]pent-4-ene-1-sulfonamide
CID 130367174
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-pyridin-2-ylhex-5-ene-2-sulfonamide
CID 130367447
2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide
CID 130367829
1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine
CID 115820668
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005375

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide?
The IUPAC name of 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide (CID 146494478) is 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide.
What is the SMILES notation for 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide?
The canonical SMILES for 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide is C=CCCC(CCc1ccc(OC)cc1)S(N)(=O)=O.
What is the InChIKey of 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide?
The InChIKey is QRRXOASHYIYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-4-5-14(19(15,16)17)11-8-12-6-9-13(18-2)10-7-12/h3,6-7,9-10,14H,1,4-5,8,11H2,2H3,(H2,15,16,17).
What are the key properties of 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide?
1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)hept-6-ene-3-sulfonamide is sourced from PubChem (CID 146494478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).