1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide

C19H23N3O5S2 — CID 16863432

IUPAC1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1
InChIInChI=1S/C19H23N3O5S2/c1-14-4-8-18(9-5-14)29(26,27)22-12-2-3-15(13-22)19(23)21-16-6-10-17(11-7-16)28(20,24)25/h4-11,15H,2-3,12-13H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyFIRVBTASNOSCFB-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.68
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide (PubChem CID 16863432) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
PubChem CID16863432
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1
InChIInChI=1S/C19H23N3O5S2/c1-14-4-8-18(9-5-14)29(26,27)22-12-2-3-15(13-22)19(23)21-16-6-10-17(11-7-16)28(20,24)25/h4-11,15H,2-3,12-13H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyFIRVBTASNOSCFB-UHFFFAOYSA-N
XLogP1.68
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43889711
(3S)-N-(4-cyclohexylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1455619
(3S)-N-[4-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125072575
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 3899735
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 100525168
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide (CID 16863432) is 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide?
The InChIKey is FIRVBTASNOSCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-14-4-8-18(9-5-14)29(26,27)22-12-2-3-15(13-22)19(23)21-16-6-10-17(11-7-16)28(20,24)25/h4-11,15H,2-3,12-13H2,1H3,(H,21,23)(H2,20,24,25).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 16863432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).