4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide

C17H18ClFN2O3S — CID 33305283

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)ccc1F
InChIInChI=1S/C17H18ClFN2O3S/c1-11-8-12(4-7-15(11)19)10-20-17(22)13-5-6-14(18)16(9-13)25(23,24)21(2)3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyNSEUWGAYFVDHIV-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.97
Rot. Bonds5

About 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide (PubChem CID 33305283) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
PubChem CID33305283
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)ccc1F
InChIInChI=1S/C17H18ClFN2O3S/c1-11-8-12(4-7-15(11)19)10-20-17(22)13-5-6-14(18)16(9-13)25(23,24)21(2)3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyNSEUWGAYFVDHIV-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052704
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
4-chloro-3-(dimethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522880
4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 46349145
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide (CID 33305283) is 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)ccc1F.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
The InChIKey is NSEUWGAYFVDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-11-8-12(4-7-15(11)19)10-20-17(22)13-5-6-14(18)16(9-13)25(23,24)21(2)3/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide has a molecular weight of 384.86 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 33305283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).