4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid

C19H22N2O4S — CID 25358953

IUPAC4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESCC1CCN(c2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-14-10-12-21(13-11-14)17-6-4-16(5-7-17)20-26(24,25)18-8-2-15(3-9-18)19(22)23/h2-9,14,20H,10-13H2,1H3,(H,22,23)
InChIKeyBJXYQYFFYLKOJY-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.42
Rot. Bonds5

About 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid

4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 25358953) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID25358953
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESCC1CCN(c2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-14-10-12-21(13-11-14)17-6-4-16(5-7-17)20-26(24,25)18-8-2-15(3-9-18)19(22)23/h2-9,14,20H,10-13H2,1H3,(H,22,23)
InChIKeyBJXYQYFFYLKOJY-UHFFFAOYSA-N
XLogP3.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
methyl 2-bromo-5-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoate
CID 55923990
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide
CID 169372256
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
4-(4-methylpiperidin-1-yl)benzoate
CID 7023615
3-[(4-methylphenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 46292342
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 56555972
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid (CID 25358953) is 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid is CC1CCN(c2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc2)CC1.
What is the InChIKey of 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is BJXYQYFFYLKOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-10-12-21(13-11-14)17-6-4-16(5-7-17)20-26(24,25)18-8-2-15(3-9-18)19(22)23/h2-9,14,20H,10-13H2,1H3,(H,22,23).
What are the key properties of 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid?
4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 374.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 25358953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).