N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C19H21ClN2O3S — CID 2666218

IUPACN-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-5-6-15(19(23)21-17-9-7-16(20)8-10-17)13-18(14)26(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyBXKQFHCGDMDFFM-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.08
Rot. Bonds4

About N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2666218) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2666218
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-5-6-15(19(23)21-17-9-7-16(20)8-10-17)13-18(14)26(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyBXKQFHCGDMDFFM-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1333013
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150
N-(4-chloro-2-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9003684
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
4-methyl-N-(4-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2876490
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-[4-[(2R)-butan-2-yl]phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7935740

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 2666218) is N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is BXKQFHCGDMDFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-5-6-15(19(23)21-17-9-7-16(20)8-10-17)13-18(14)26(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2666218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).