N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C20H23ClN2O4S — CID 4794100

IUPACN-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C20H23ClN2O4S/c1-14-5-3-4-12-23(14)28(25,26)19-13-15(6-11-18(19)27-2)20(24)22-17-9-7-16(21)8-10-17/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,24)
InChIKeyWQLDIUJZNSKFNZ-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.16
Rot. Bonds5

About N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4794100) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4794100
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C20H23ClN2O4S/c1-14-5-3-4-12-23(14)28(25,26)19-13-15(6-11-18(19)27-2)20(24)22-17-9-7-16(21)8-10-17/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,24)
InChIKeyWQLDIUJZNSKFNZ-UHFFFAOYSA-N
XLogP4.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2683094
N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24656097
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40647113
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98397485
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26012135
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24685961

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 4794100) is N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is WQLDIUJZNSKFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-5-3-4-12-23(14)28(25,26)19-13-15(6-11-18(19)27-2)20(24)22-17-9-7-16(21)8-10-17/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 422.93 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4794100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).