4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide

C19H22ClN3O3S — CID 50875246

IUPAC4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C19H22ClN3O3S/c1-23-11-9-15(10-12-23)21-19(24)14-7-8-17(20)18(13-14)27(25,26)22-16-5-3-2-4-6-16/h2-8,13,15,22H,9-12H2,1H3,(H,21,24)
InChIKeyRTSBMQZHGXZACC-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.96
Rot. Bonds5

About 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide

4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide (PubChem CID 50875246) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide
PubChem CID50875246
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C19H22ClN3O3S/c1-23-11-9-15(10-12-23)21-19(24)14-7-8-17(20)18(13-14)27(25,26)22-16-5-3-2-4-6-16/h2-8,13,15,22H,9-12H2,1H3,(H,21,24)
InChIKeyRTSBMQZHGXZACC-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
CID 2973945
4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214869
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 9165471
4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
CID 99972488
4-chloro-N-cyclopentyl-3-(methylsulfamoyl)benzamide
CID 9213864
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 22109123
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide (CID 50875246) is 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide is CN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1.
What is the InChIKey of 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is RTSBMQZHGXZACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-23-11-9-15(10-12-23)21-19(24)14-7-8-17(20)18(13-14)27(25,26)22-16-5-3-2-4-6-16/h2-8,13,15,22H,9-12H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide?
4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide has a molecular weight of 407.92 g/mol, XLogP of 2.96, 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-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 50875246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).