N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide

C17H19NO2S — CID 141178655

IUPACN-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
SMILESC/C=C/CCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2S/c1-2-3-5-9-15-10-8-11-16(14-15)18-21(19,20)17-12-6-4-7-13-17/h2-4,6-8,10-14,18H,5,9H2,1H3/b3-2+
InChIKeyGQHATEMPQLWMQG-NSCUHMNNSA-N
MW301.41 g/mol
LogP4.00
Rot. Bonds6

About N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide

N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide (PubChem CID 141178655) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
PubChem CID141178655
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
SMILESC/C=C/CCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2S/c1-2-3-5-9-15-10-8-11-16(14-15)18-21(19,20)17-12-6-4-7-13-17/h2-4,6-8,10-14,18H,5,9H2,1H3/b3-2+
InChIKeyGQHATEMPQLWMQG-NSCUHMNNSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708
pent-3-enylbenzene
CID 519421
N-[3-(3-oxopropyl)phenyl]methanesulfonamide
CID 57444373
N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide
CID 154760114
N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide
CID 170620107

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide (CID 141178655) is N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide is C/C=C/CCc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide?
The InChIKey is GQHATEMPQLWMQG-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-3-5-9-15-10-8-11-16(14-15)18-21(19,20)17-12-6-4-7-13-17/h2-4,6-8,10-14,18H,5,9H2,1H3/b3-2+.
What are the key properties of N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide?
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 141178655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).