N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide

C20H23Cl2NO2S — CID 134935915

IUPACN-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide
SMILESCCCCCc1ccc(/C(Cl)=C(\CCl)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23Cl2NO2S/c1-2-3-5-8-16-11-13-17(14-12-16)20(22)19(15-21)23-26(24,25)18-9-6-4-7-10-18/h4,6-7,9-14,23H,2-3,5,8,15H2,1H3/b20-19-
InChIKeyNJVSCCJDQFNAQQ-VXPUYCOJSA-N
MW412.38 g/mol
LogP5.54
Rot. Bonds9

About N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide

N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide (PubChem CID 134935915) has the molecular formula C20H23Cl2NO2S and a molecular weight of 412.38 g/mol. Its IUPAC name is N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide
PubChem CID134935915
Molecular FormulaC20H23Cl2NO2S
Molecular Weight412.38 g/mol
Exact Mass411.08
IUPAC NameN-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide
SMILESCCCCCc1ccc(/C(Cl)=C(\CCl)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23Cl2NO2S/c1-2-3-5-8-16-11-13-17(14-12-16)20(22)19(15-21)23-26(24,25)18-9-6-4-7-10-18/h4,6-7,9-14,23H,2-3,5,8,15H2,1H3/b20-19-
InChIKeyNJVSCCJDQFNAQQ-VXPUYCOJSA-N
XLogP5.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.38
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1,3-dichloro-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzenesulfonamide
CID 11429760
4-[[(4-hexylphenyl)sulfonylamino]methyl]benzoic acid
CID 84556982
N-(benzhydrylideneamino)-4-dodecylbenzenesulfonamide
CID 22613565
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
methyl-[(4-pentylbenzoyl)amino]-phenylazanium chloride
CID 18531773
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9089374
4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
CID 145301695
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
sodium;hypochlorous acid;4-tetradecylbenzenesulfonic acid
CID 22053348
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide?
The IUPAC name of N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide (CID 134935915) is N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide is CCCCCc1ccc(/C(Cl)=C(\CCl)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide?
The InChIKey is NJVSCCJDQFNAQQ-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H23Cl2NO2S/c1-2-3-5-8-16-11-13-17(14-12-16)20(22)19(15-21)23-26(24,25)18-9-6-4-7-10-18/h4,6-7,9-14,23H,2-3,5,8,15H2,1H3/b20-19-.
What are the key properties of N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide?
N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide has a molecular weight of 412.38 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-dichloro-1-(4-pentylphenyl)prop-1-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 134935915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).