4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide

C18H28ClN3O4S — CID 55765667

IUPAC4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCCC(C)C2)ccc1Cl
InChIInChI=1S/C18H28ClN3O4S/c1-14-6-4-10-22(13-14)11-5-9-20-18(23)15-7-8-16(19)17(12-15)27(24,25)21(2)26-3/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,20,23)
InChIKeyXIAOMWMETSLYQW-UHFFFAOYSA-N
MW417.96 g/mol
LogP2.37
Rot. Bonds8

About 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide

4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 55765667) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID55765667
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCCC(C)C2)ccc1Cl
InChIInChI=1S/C18H28ClN3O4S/c1-14-6-4-10-22(13-14)11-5-9-20-18(23)15-7-8-16(19)17(12-15)27(24,25)21(2)26-3/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,20,23)
InChIKeyXIAOMWMETSLYQW-UHFFFAOYSA-N
XLogP2.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide
CID 56547862
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55725093
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 53278155
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide (CID 55765667) is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide is CON(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCCC(C)C2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is XIAOMWMETSLYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O4S/c1-14-6-4-10-22(13-14)11-5-9-20-18(23)15-7-8-16(19)17(12-15)27(24,25)21(2)26-3/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,20,23).
What are the key properties of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 417.96 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 55765667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).