2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H32ClN3O3S — CID 9473189

IUPAC2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCCC[C@@H]2C)c1
InChIInChI=1S/C20H32ClN3O3S/c1-15(2)23(4)28(26,27)17-9-10-19(21)18(14-17)20(25)22-11-7-13-24-12-6-5-8-16(24)3/h9-10,14-16H,5-8,11-13H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyMALYDHOIYDAHPR-INIZCTEOSA-N
MW430.01 g/mol
LogP3.36
Rot. Bonds8

About 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 9473189) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID9473189
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCCC[C@@H]2C)c1
InChIInChI=1S/C20H32ClN3O3S/c1-15(2)23(4)28(26,27)17-9-10-19(21)18(14-17)20(25)22-11-7-13-24-12-6-5-8-16(24)3/h9-10,14-16H,5-8,11-13H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyMALYDHOIYDAHPR-INIZCTEOSA-N
XLogP3.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473795
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473171
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 55331996
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 55723665
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
methyl 6-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]hexanoate
CID 46798864
2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46579609
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 9473189) is 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCCC[C@@H]2C)c1.
What is the InChIKey of 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is MALYDHOIYDAHPR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32ClN3O3S/c1-15(2)23(4)28(26,27)17-9-10-19(21)18(14-17)20(25)22-11-7-13-24-12-6-5-8-16(24)3/h9-10,14-16H,5-8,11-13H2,1-4H3,(H,22,25)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 430.01 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 9473189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).