4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide

C25H34ClN3O3S — CID 17452883

IUPAC4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)ccc1Cl
InChIInChI=1S/C25H34ClN3O3S/c1-4-29(5-2)33(31,32)24-17-19(15-16-22(24)26)25(30)27-23-14-10-9-11-20(23)18-28(3)21-12-7-6-8-13-21/h9-11,14-17,21H,4-8,12-13,18H2,1-3H3,(H,27,30)
InChIKeySAWKPYXMJZZDOF-UHFFFAOYSA-N
MW492.09 g/mol
LogP5.39
Rot. Bonds9

About 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide

4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 17452883) has the molecular formula C25H34ClN3O3S and a molecular weight of 492.09 g/mol. Its IUPAC name is 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide
PubChem CID17452883
Molecular FormulaC25H34ClN3O3S
Molecular Weight492.09 g/mol
Exact Mass491.20
IUPAC Name4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)ccc1Cl
InChIInChI=1S/C25H34ClN3O3S/c1-4-29(5-2)33(31,32)24-17-19(15-16-22(24)26)25(30)27-23-14-10-9-11-20(23)18-28(3)21-12-7-6-8-13-21/h9-11,14-17,21H,4-8,12-13,18H2,1-3H3,(H,27,30)
InChIKeySAWKPYXMJZZDOF-UHFFFAOYSA-N
XLogP5.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.09
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 46448626
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-methylsulfinylbenzamide
CID 55552886
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
CID 17475289
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834
methyl 3-chloro-4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 52857530
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
(3S,4R)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-hydroxy-2,2-dimethyl-4-(naphthalen-1-ylsulfonylamino)-3,4-dihydrochromene-6-carboxamide
CID 54043533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide (CID 17452883) is 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is SAWKPYXMJZZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O3S/c1-4-29(5-2)33(31,32)24-17-19(15-16-22(24)26)25(30)27-23-14-10-9-11-20(23)18-28(3)21-12-7-6-8-13-21/h9-11,14-17,21H,4-8,12-13,18H2,1-3H3,(H,27,30).
What are the key properties of 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide?
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 492.09 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 17452883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).