2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide

C22H28ClN3O3S — CID 75376807

IUPAC2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC(N(C)C)C3)c2)c1
InChIInChI=1S/C22H28ClN3O3S/c1-15-6-4-8-17(12-15)25-30(28,29)19-10-11-21(23)20(14-19)22(27)24-16-7-5-9-18(13-16)26(2)3/h4,6,8,10-12,14,16,18,25H,5,7,9,13H2,1-3H3,(H,24,27)
InChIKeyUBVXGHWHQGQKGF-UHFFFAOYSA-N
MW450.00 g/mol
LogP4.05
Rot. Bonds6

About 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide

2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 75376807) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID75376807
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC(N(C)C)C3)c2)c1
InChIInChI=1S/C22H28ClN3O3S/c1-15-6-4-8-17(12-15)25-30(28,29)19-10-11-21(23)20(14-19)22(27)24-16-7-5-9-18(13-16)26(2)3/h4,6,8,10-12,14,16,18,25H,5,7,9,13H2,1-3H3,(H,24,27)
InChIKeyUBVXGHWHQGQKGF-UHFFFAOYSA-N
XLogP4.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 30768460
2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 43016627
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55722019
2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503413
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 75376807) is 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC(N(C)C)C3)c2)c1.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is UBVXGHWHQGQKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-15-6-4-8-17(12-15)25-30(28,29)19-10-11-21(23)20(14-19)22(27)24-16-7-5-9-18(13-16)26(2)3/h4,6,8,10-12,14,16,18,25H,5,7,9,13H2,1-3H3,(H,24,27).
What are the key properties of 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide?
2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 450.00 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 75376807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).