4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide

C15H19NO2S — CID 167259008

IUPAC4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(/C=C/C)cc1
InChIInChI=1S/C15H19NO2S/c1-4-7-14-8-10-15(11-9-14)19(17,18)16(12-5-2)13-6-3/h4-11H,2-3,12-13H2,1H3/b7-4+
InChIKeySMBDOBYHSALSOB-QPJJXVBHSA-N
MW277.39 g/mol
LogP3.08
Rot. Bonds7

About 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide

4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 167259008) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID167259008
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(/C=C/C)cc1
InChIInChI=1S/C15H19NO2S/c1-4-7-14-8-10-15(11-9-14)19(17,18)16(12-5-2)13-6-3/h4-11H,2-3,12-13H2,1H3/b7-4+
InChIKeySMBDOBYHSALSOB-QPJJXVBHSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.08
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

4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1226881
4-isocyanato-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 11334929
2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
CID 43440466
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227080
N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154273
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504
ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455
N-(2,2-dimethyl-3-oxopropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10494105
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
4-[2-(4-methylsulfonylphenyl)ethenyl]-N,N-bis(prop-2-enyl)aniline
CID 54297094

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 167259008) is 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccc(/C=C/C)cc1.
What is the InChIKey of 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is SMBDOBYHSALSOB-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-4-7-14-8-10-15(11-9-14)19(17,18)16(12-5-2)13-6-3/h4-11H,2-3,12-13H2,1H3/b7-4+.
What are the key properties of 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide?
4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 277.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 167259008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).