4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide

C16H24ClN3O3S — CID 2447253

IUPAC4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCCCC1
InChIInChI=1S/C16H24ClN3O3S/c1-20(2)16(8-4-3-5-9-16)11-19-15(21)12-6-7-13(17)14(10-12)24(18,22)23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyKPZHOYVIVXYJQK-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.98
Rot. Bonds5

About 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide

4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide (PubChem CID 2447253) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide
PubChem CID2447253
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCCCC1
InChIInChI=1S/C16H24ClN3O3S/c1-20(2)16(8-4-3-5-9-16)11-19-15(21)12-6-7-13(17)14(10-12)24(18,22)23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyKPZHOYVIVXYJQK-UHFFFAOYSA-N
XLogP1.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Clopamide
CID 12492
Brinaldix
CID 2804
N-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 34852311
Diapamide
CID 19394
Isomerase, glucose
CID 1151718
N-butyl-4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
CID 126508480
N-butyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide
CID 126509009
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 60635034
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
CID 126507182
2-benzylsulfanyl-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507531
N-butyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126508306
N-benzyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126508758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide (CID 2447253) is 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide is CN(C)C1(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCCCC1.
What is the InChIKey of 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide?
The InChIKey is KPZHOYVIVXYJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-20(2)16(8-4-3-5-9-16)11-19-15(21)12-6-7-13(17)14(10-12)24(18,22)23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide?
4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide has a molecular weight of 373.91 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 2447253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).