N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide

C20H23ClN2O4S — CID 26011766

IUPACN-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C20H23ClN2O4S/c1-14-6-3-4-11-23(14)20(24)15-7-5-8-17(12-15)28(25,26)22-18-13-16(21)9-10-19(18)27-2/h5,7-10,12-14,22H,3-4,6,11H2,1-2H3/t14-/m0/s1
InChIKeyNXZXBGBRYNPXMX-AWEZNQCLSA-N
MW422.93 g/mol
LogP4.16
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide (PubChem CID 26011766) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
PubChem CID26011766
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C20H23ClN2O4S/c1-14-6-3-4-11-23(14)20(24)15-7-5-8-17(12-15)28(25,26)22-18-13-16(21)9-10-19(18)27-2/h5,7-10,12-14,22H,3-4,6,11H2,1-2H3/t14-/m0/s1
InChIKeyNXZXBGBRYNPXMX-AWEZNQCLSA-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

ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 26591578
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910845
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 46601321
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43044408
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide (CID 26011766) is N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is NXZXBGBRYNPXMX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-6-3-4-11-23(14)20(24)15-7-5-8-17(12-15)28(25,26)22-18-13-16(21)9-10-19(18)27-2/h5,7-10,12-14,22H,3-4,6,11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide 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-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 26011766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).