1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide

C19H23N3O3S — CID 169372256

IUPAC1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-2-8-18(9-3-14)26(24,25)21-16-4-6-17(7-5-16)22-12-10-15(11-13-22)19(20)23/h2-9,15,21H,10-13H2,1H3,(H2,20,23)
InChIKeyXRIADKLSJPDMJX-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.50
Rot. Bonds5

About 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide

1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide (PubChem CID 169372256) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide
PubChem CID169372256
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-2-8-18(9-3-14)26(24,25)21-16-4-6-17(7-5-16)22-12-10-15(11-13-22)19(20)23/h2-9,15,21H,10-13H2,1H3,(H2,20,23)
InChIKeyXRIADKLSJPDMJX-UHFFFAOYSA-N
XLogP2.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.50
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
1-[4-[(4-methylphenyl)sulfonylamino]-2-nitrophenyl]piperidine-4-carboxamide
CID 169371095
1-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]piperidine-4-carboxamide
CID 86934846
4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 25358953
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
CID 45156919
1-[2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
CID 3897663
4-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 169371487
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide (CID 169372256) is 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide?
The InChIKey is XRIADKLSJPDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-2-8-18(9-3-14)26(24,25)21-16-4-6-17(7-5-16)22-12-10-15(11-13-22)19(20)23/h2-9,15,21H,10-13H2,1H3,(H2,20,23).
What are the key properties of 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide?
1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 169372256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).