N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide

C21H25Cl2N3O3S — CID 167339679

IUPACN-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C2CCNCC2)c(Cl)c1Cl
InChIInChI=1S/C21H25Cl2N3O3S/c1-13-5-3-4-6-16(13)21(27)25-17-7-8-18(20(23)19(17)22)30(28,29)26-14(2)15-9-11-24-12-10-15/h3-8,14-15,24,26H,9-12H2,1-2H3,(H,25,27)
InChIKeyOURKTHCTLRNKRA-UHFFFAOYSA-N
MW470.42 g/mol
LogP4.22
Rot. Bonds6

About N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide

N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide (PubChem CID 167339679) has the molecular formula C21H25Cl2N3O3S and a molecular weight of 470.42 g/mol. Its IUPAC name is N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
PubChem CID167339679
Molecular FormulaC21H25Cl2N3O3S
Molecular Weight470.42 g/mol
Exact Mass469.10
IUPAC NameN-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C2CCNCC2)c(Cl)c1Cl
InChIInChI=1S/C21H25Cl2N3O3S/c1-13-5-3-4-6-16(13)21(27)25-17-7-8-18(20(23)19(17)22)30(28,29)26-14(2)15-9-11-24-12-10-15/h3-8,14-15,24,26H,9-12H2,1-2H3,(H,25,27)
InChIKeyOURKTHCTLRNKRA-UHFFFAOYSA-N
XLogP4.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 167339748
N-[5-fluoro-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339910
N-[5-methoxy-2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 167339813
2-methyl-N-[4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]-2-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 167339972
N-[2-chloro-6-fluoro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
CID 167339896
tert-butyl 4-[(1R)-1-[[2-chloro-3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]ethyl]piperidine-1-carboxylate
CID 167340010
N-[2-chloro-5-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]-2-methylbenzamide;hydrochloride
CID 167339793
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879
N-[4-[[(1R)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]sulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167339725
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate
CID 166925882
4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
CID 167339835
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate;hydrochloride
CID 168763736

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide (CID 167339679) is N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C2CCNCC2)c(Cl)c1Cl.
What is the InChIKey of N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide?
The InChIKey is OURKTHCTLRNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O3S/c1-13-5-3-4-6-16(13)21(27)25-17-7-8-18(20(23)19(17)22)30(28,29)26-14(2)15-9-11-24-12-10-15/h3-8,14-15,24,26H,9-12H2,1-2H3,(H,25,27).
What are the key properties of N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide?
N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide has a molecular weight of 470.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 167339679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).