N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide

C18H18ClFN2O3S — CID 18112215

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H18ClFN2O3S/c1-3-11-21-26(24,25)14-9-7-13(8-10-14)18(23)22(2)12-15-16(19)5-4-6-17(15)20/h3-10,21H,1,11-12H2,2H3
InChIKeyGHSZGYRWFTXMMF-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.22
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 18112215) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID18112215
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H18ClFN2O3S/c1-3-11-21-26(24,25)14-9-7-13(8-10-14)18(23)22(2)12-15-16(19)5-4-6-17(15)20/h3-10,21H,1,11-12H2,2H3
InChIKeyGHSZGYRWFTXMMF-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.22
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

4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 36556294
(2-chloro-6-fluorophenyl)methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 7973883
N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 18112182
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 46608995
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46522344
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 18083832
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide (CID 18112215) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is GHSZGYRWFTXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c1-3-11-21-26(24,25)14-9-7-13(8-10-14)18(23)22(2)12-15-16(19)5-4-6-17(15)20/h3-10,21H,1,11-12H2,2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 396.87 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 18112215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).