N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C20H23ClN2O3S — CID 1333013

IUPACN-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C20H23ClN2O3S/c1-14-9-11-23(12-10-14)27(25,26)19-13-16(4-3-15(19)2)20(24)22-18-7-5-17(21)6-8-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyLWCPGMNJIDPTJA-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.32
Rot. Bonds4

About N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 1333013) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID1333013
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C20H23ClN2O3S/c1-14-9-11-23(12-10-14)27(25,26)19-13-16(4-3-15(19)2)20(24)22-18-7-5-17(21)6-8-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyLWCPGMNJIDPTJA-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4089870
N-(3,5-dichlorophenyl)-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4075000
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 27241778
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
2-[[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid
CID 23795276
N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968694
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 27700270
N-(4-chloro-2-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9003684
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 1333013) is N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is LWCPGMNJIDPTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-9-11-23(12-10-14)27(25,26)19-13-16(4-3-15(19)2)20(24)22-18-7-5-17(21)6-8-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 4.32, 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-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 1333013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).