4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide

C19H20ClFN2O3S — CID 31832383

IUPAC4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClFN2O3S/c1-4-23(12-13(2)3)19(24)14-5-7-15(8-6-14)22-27(25,26)16-9-10-18(21)17(20)11-16/h5-11,22H,2,4,12H2,1,3H3
InChIKeyLHJFHDLRSBQDHT-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.32
Rot. Bonds7

About 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 31832383) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID31832383
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClFN2O3S/c1-4-23(12-13(2)3)19(24)14-5-7-15(8-6-14)22-27(25,26)16-9-10-18(21)17(20)11-16/h5-11,22H,2,4,12H2,1,3H3
InChIKeyLHJFHDLRSBQDHT-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 55990230
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide (CID 31832383) is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is LHJFHDLRSBQDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c1-4-23(12-13(2)3)19(24)14-5-7-15(8-6-14)22-27(25,26)16-9-10-18(21)17(20)11-16/h5-11,22H,2,4,12H2,1,3H3.
What are the key properties of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 410.90 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 31832383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).