1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide

C12H17N3O5S2 — CID 3137783

IUPAC1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C12H17N3O5S2/c13-12(16)9-5-7-15(8-6-9)22(19,20)11-3-1-10(2-4-11)21(14,17)18/h1-4,9H,5-8H2,(H2,13,16)(H2,14,17,18)
InChIKeyKKDRZWHKDLGOLG-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.78
Rot. Bonds4

About 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide

1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3137783) has the molecular formula C12H17N3O5S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3137783
Molecular FormulaC12H17N3O5S2
Molecular Weight347.42 g/mol
Exact Mass347.06
IUPAC Name1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C12H17N3O5S2/c13-12(16)9-5-7-15(8-6-9)22(19,20)11-3-1-10(2-4-11)21(14,17)18/h1-4,9H,5-8H2,(H2,13,16)(H2,14,17,18)
InChIKeyKKDRZWHKDLGOLG-UHFFFAOYSA-N
XLogP-0.78
TPSA140.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
1-[4-(2-chloroethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43612626
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
CID 164885708
1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546
1-(4-fluorophenyl)sulfonylpiperidine-4-carbothioamide
CID 39426242
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 91681503
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22550008

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide (CID 3137783) is 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KKDRZWHKDLGOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S2/c13-12(16)9-5-7-15(8-6-9)22(19,20)11-3-1-10(2-4-11)21(14,17)18/h1-4,9H,5-8H2,(H2,13,16)(H2,14,17,18).
What are the key properties of 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3137783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).