N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide

C29H29N2O2PS — CID 138969223

IUPACN-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide
SMILESC=CCCCNS(=O)(=O)c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N2O2PS/c1-2-3-15-24-30-35(32,33)29-23-14-13-22-28(29)31-34(25-16-7-4-8-17-25,26-18-9-5-10-19-26)27-20-11-6-12-21-27/h2,4-14,16-23,30H,1,3,15,24H2
InChIKeyJJNSYWKAMPSHCC-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.74
Rot. Bonds10

About N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide

N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide (PubChem CID 138969223) has the molecular formula C29H29N2O2PS and a molecular weight of 500.60 g/mol. Its IUPAC name is N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide
PubChem CID138969223
Molecular FormulaC29H29N2O2PS
Molecular Weight500.60 g/mol
Exact Mass500.17
IUPAC NameN-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide
SMILESC=CCCCNS(=O)(=O)c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N2O2PS/c1-2-3-15-24-30-35(32,33)29-23-14-13-22-28(29)31-34(25-16-7-4-8-17-25,26-18-9-5-10-19-26)27-20-11-6-12-21-27/h2,4-14,16-23,30H,1,3,15,24H2
InChIKeyJJNSYWKAMPSHCC-UHFFFAOYSA-N
XLogP5.74
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide
CID 114264574
4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide
CID 114264577
triphenyl(undec-10-enylimino)-λ5-phosphane
CID 86099769
3-[2-(benzenesulfonamido)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496464
3-(but-3-enylsulfamoyl)-2-methylbenzoic acid
CID 113465362
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 114264970
prop-2-enyl N-[3-[(2-nitrophenyl)sulfonylamino]propyl]carbamate
CID 10497545
N-phenylsulfanylpent-4-en-1-amine
CID 24752671
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-(3-ethenoxypropyl)naphthalene-1-sulfonamide
CID 114795784
2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
CID 115640458

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide?
The IUPAC name of N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide (CID 138969223) is N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide?
The canonical SMILES for N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide is C=CCCCNS(=O)(=O)c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide?
The InChIKey is JJNSYWKAMPSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N2O2PS/c1-2-3-15-24-30-35(32,33)29-23-14-13-22-28(29)31-34(25-16-7-4-8-17-25,26-18-9-5-10-19-26)27-20-11-6-12-21-27/h2,4-14,16-23,30H,1,3,15,24H2.
What are the key properties of N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide?
N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide has a molecular weight of 500.60 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide is sourced from PubChem (CID 138969223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).