1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide

C19H22ClN3O5S2 — CID 43874836

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H22ClN3O5S2/c20-16-5-9-18(10-6-16)30(27,28)23-11-1-2-15(13-23)19(24)22-12-14-3-7-17(8-4-14)29(21,25)26/h3-10,15H,1-2,11-13H2,(H,22,24)(H2,21,25,26)
InChIKeyVNTDEWNKGRSQBB-UHFFFAOYSA-N
MW471.99 g/mol
LogP1.70
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43874836) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43874836
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H22ClN3O5S2/c20-16-5-9-18(10-6-16)30(27,28)23-11-1-2-15(13-23)19(24)22-12-14-3-7-17(8-4-14)29(21,25)26/h3-10,15H,1-2,11-13H2,(H,22,24)(H2,21,25,26)
InChIKeyVNTDEWNKGRSQBB-UHFFFAOYSA-N
XLogP1.70
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874859
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 35617033
(3R)-1-naphthalen-2-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 28562145
1-(4-chlorophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24626125
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861824
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 28549718
(3R)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562311
(3S)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562313
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide
CID 41064753
1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874869
1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 24636962

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide (CID 43874836) is 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VNTDEWNKGRSQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S2/c20-16-5-9-18(10-6-16)30(27,28)23-11-1-2-15(13-23)19(24)22-12-14-3-7-17(8-4-14)29(21,25)26/h3-10,15H,1-2,11-13H2,(H,22,24)(H2,21,25,26).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43874836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).