N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide

C12H15NO3S — CID 69095347

IUPACN-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide
SMILESC=CCC(O)(C=C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15NO3S/c1-3-10-12(14,4-2)13-17(15,16)11-8-6-5-7-9-11/h3-9,13-14H,1-2,10H2
InChIKeyUCBAOUFFKYFHDO-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.42
Rot. Bonds6

About N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide

N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide (PubChem CID 69095347) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide
PubChem CID69095347
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide
SMILESC=CCC(O)(C=C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15NO3S/c1-3-10-12(14,4-2)13-17(15,16)11-8-6-5-7-9-11/h3-9,13-14H,1-2,10H2
InChIKeyUCBAOUFFKYFHDO-UHFFFAOYSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 102294027
N-[(E)-2-aminoethenyl]benzenesulfonamide
CID 66690063
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene
CID 102026449
2-(benzenesulfonyl)pent-4-en-2-ylbenzene
CID 25111406
N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide
CID 15312074
N-(1-chlorohex-5-en-2-yl)benzenesulfonamide
CID 71390492
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
1-phenylbut-3-ene-1,1-diol
CID 134892936
N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
CID 142835485

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide (CID 69095347) is N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide is C=CCC(O)(C=C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide?
The InChIKey is UCBAOUFFKYFHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-10-12(14,4-2)13-17(15,16)11-8-6-5-7-9-11/h3-9,13-14H,1-2,10H2.
What are the key properties of N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide?
N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide has a molecular weight of 253.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide is sourced from PubChem (CID 69095347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).