N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide

C18H20ClNO2S — CID 25019219

IUPACN-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
SMILESC=CCCC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-3-4-5-18(15-8-10-16(19)11-9-15)20-23(21,22)17-12-6-14(2)7-13-17/h3,6-13,18,20H,1,4-5H2,2H3
InChIKeyMDKVZWJIZIFQSV-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.63
Rot. Bonds7

About N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide

N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide (PubChem CID 25019219) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
PubChem CID25019219
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC NameN-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
SMILESC=CCCC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-3-4-5-18(15-8-10-16(19)11-9-15)20-23(21,22)17-12-6-14(2)7-13-17/h3,6-13,18,20H,1,4-5H2,2H3
InChIKeyMDKVZWJIZIFQSV-UHFFFAOYSA-N
XLogP4.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.63
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-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
N-[(1S,2S)-1-(4-chlorophenyl)-2-methylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11382505
N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 11245057
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
CID 102380276
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
N-[(E)-5-(4-chlorophenyl)-3-oxo-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 101494243
N-[1-(4-chlorophenyl)-2-methoxyprop-2-enyl]-4-methylbenzenesulfonamide
CID 11302594

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide (CID 25019219) is N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide is C=CCCC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide?
The InChIKey is MDKVZWJIZIFQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-3-4-5-18(15-8-10-16(19)11-9-15)20-23(21,22)17-12-6-14(2)7-13-17/h3,6-13,18,20H,1,4-5H2,2H3.
What are the key properties of N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide?
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide has a molecular weight of 349.88 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25019219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).