N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C17H19ClN2O4S — CID 8713091

IUPACN-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H19ClN2O4S/c1-20(2)25(22,23)16-10-13(6-9-15(16)24-3)17(21)19-11-12-4-7-14(18)8-5-12/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyXYAPMZCKPJWWND-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.53
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 8713091) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID8713091
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H19ClN2O4S/c1-20(2)25(22,23)16-10-13(6-9-15(16)24-3)17(21)19-11-12-4-7-14(18)8-5-12/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyXYAPMZCKPJWWND-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46420991
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24552489
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194
3-(dimethylsulfamoyl)-4-methoxy-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]benzamide
CID 46442346
3-(dimethylsulfamoyl)-4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 27861838
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 48542375
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 8713091) is N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is XYAPMZCKPJWWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-20(2)25(22,23)16-10-13(6-9-15(16)24-3)17(21)19-11-12-4-7-14(18)8-5-12/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 382.87 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 8713091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).