3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

C23H30ClN3O4S — CID 24816551

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1
InChIInChI=1S/C23H30ClN3O4S/c1-27(2)23(12-5-4-6-13-23)16-25-22(28)17-8-7-9-19(14-17)32(29,30)26-20-15-18(24)10-11-21(20)31-3/h7-11,14-15,26H,4-6,12-13,16H2,1-3H3,(H,25,28)
InChIKeyFDSZERGQQQKTOV-UHFFFAOYSA-N
MW480.03 g/mol
LogP4.14
Rot. Bonds8

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (PubChem CID 24816551) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
PubChem CID24816551
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1
InChIInChI=1S/C23H30ClN3O4S/c1-27(2)23(12-5-4-6-13-23)16-25-22(28)17-8-7-9-19(14-17)32(29,30)26-20-15-18(24)10-11-21(20)31-3/h7-11,14-15,26H,4-6,12-13,16H2,1-3H3,(H,25,28)
InChIKeyFDSZERGQQQKTOV-UHFFFAOYSA-N
XLogP4.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide with MolForge

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2501045
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861039
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 31737106
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43044408
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 46601321
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 56523456
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (CID 24816551) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is FDSZERGQQQKTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-27(2)23(12-5-4-6-13-23)16-25-22(28)17-8-7-9-19(14-17)32(29,30)26-20-15-18(24)10-11-21(20)31-3/h7-11,14-15,26H,4-6,12-13,16H2,1-3H3,(H,25,28).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide has a molecular weight of 480.03 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 24816551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).