4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide

C17H26ClN3O3S — CID 9473011

IUPAC4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCN2CCCC[C@H]2C)ccc1Cl
InChIInChI=1S/C17H26ClN3O3S/c1-13-6-3-4-10-21(13)11-5-9-20-17(22)14-7-8-15(18)16(12-14)25(23,24)19-2/h7-8,12-13,19H,3-6,9-11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyWQZNXJHLJCECDX-CYBMUJFWSA-N
MW387.93 g/mol
LogP2.24
Rot. Bonds7

About 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide

4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide (PubChem CID 9473011) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide
PubChem CID9473011
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCN2CCCC[C@H]2C)ccc1Cl
InChIInChI=1S/C17H26ClN3O3S/c1-13-6-3-4-10-21(13)11-5-9-20-17(22)14-7-8-15(18)16(12-14)25(23,24)19-2/h7-8,12-13,19H,3-6,9-11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyWQZNXJHLJCECDX-CYBMUJFWSA-N
XLogP2.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9472673
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 55725020
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
4-chloro-N-cyclopentyl-3-(methylsulfamoyl)benzamide
CID 9213864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide (CID 9473011) is 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCCCN2CCCC[C@H]2C)ccc1Cl.
What is the InChIKey of 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is WQZNXJHLJCECDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26ClN3O3S/c1-13-6-3-4-10-21(13)11-5-9-20-17(22)14-7-8-15(18)16(12-14)25(23,24)19-2/h7-8,12-13,19H,3-6,9-11H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide?
4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 387.93 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 9473011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).