3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide

C22H20ClFN2O3S — CID 43002771

IUPAC3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20ClFN2O3S/c1-25(2)22(27)17-8-13-20(23)21(14-17)30(28,29)26(15-16-6-4-3-5-7-16)19-11-9-18(24)10-12-19/h3-14H,15H2,1-2H3
InChIKeyPZNKIQFXZILLOC-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.58
Rot. Bonds6

About 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide

3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide (PubChem CID 43002771) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide
PubChem CID43002771
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20ClFN2O3S/c1-25(2)22(27)17-8-13-20(23)21(14-17)30(28,29)26(15-16-6-4-3-5-7-16)19-11-9-18(24)10-12-19/h3-14H,15H2,1-2H3
InChIKeyPZNKIQFXZILLOC-UHFFFAOYSA-N
XLogP4.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 2119625
3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 42988884
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
CID 41454674
N-[1-[3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chlorobenzoyl]piperidin-4-yl]-1-methylpyrrole-2-carboxamide
CID 166345182
N-benzyl-2-chloro-N-(4-fluorophenyl)-5-[2-(1-methylindol-3-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 166348006
N-benzyl-2-chloro-5-[1-(2-chlorophenyl)-7,7-dimethyl-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 166347970
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide
CID 31866538
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
2-chloro-N-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46022483
methyl 4-chloro-3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 52634255
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide (CID 43002771) is 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is PZNKIQFXZILLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-25(2)22(27)17-8-13-20(23)21(14-17)30(28,29)26(15-16-6-4-3-5-7-16)19-11-9-18(24)10-12-19/h3-14H,15H2,1-2H3.
What are the key properties of 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide?
3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 446.93 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 43002771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).