N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide

C17H15NO2S — CID 170620107

IUPACN-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide
SMILESC/C=C\C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H15NO2S/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,1H3/b3-2-
InChIKeyDSFSVZGUECSLPF-IHWYPQMZSA-N
MW297.38 g/mol
LogP3.41
Rot. Bonds3

About N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide

N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide (PubChem CID 170620107) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide
PubChem CID170620107
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide
SMILESC/C=C\C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H15NO2S/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,1H3/b3-2-
InChIKeyDSFSVZGUECSLPF-IHWYPQMZSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-prop-1-ynylphenyl)benzenesulfonamide
CID 155934453
(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
CID 10570243
(E)-5-[3-[(4-nitrophenyl)sulfonylamino]phenyl]pent-2-en-4-ynoic acid
CID 10690638
N-[3-[2-(4,6-diaminopyrimidin-5-yl)ethynyl]phenyl]benzenesulfonamide
CID 59744301
(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
CID 158521764
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid
CID 24662927
4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
CID 24650343
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-(3-propylphenyl)benzenesulfonamide
CID 71064838

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide (CID 170620107) is N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide is C/C=C\C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide?
The InChIKey is DSFSVZGUECSLPF-IHWYPQMZSA-N. The full InChI is InChI=1S/C17H15NO2S/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,1H3/b3-2-.
What are the key properties of N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide?
N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 170620107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).