N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide

C17H23N5O6S2 — CID 133083516

IUPACN-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide
SMILESCOc1ncnc(NS(=O)(=O)c2ccc(NS(=O)(=O)N3CCCCC3)cc2)c1OC
InChIInChI=1S/C17H23N5O6S2/c1-27-15-16(18-12-19-17(15)28-2)21-29(23,24)14-8-6-13(7-9-14)20-30(25,26)22-10-4-3-5-11-22/h6-9,12,20H,3-5,10-11H2,1-2H3,(H,18,19,21)
InChIKeyPTDUVEDUYQHEFE-UHFFFAOYSA-N
MW457.53 g/mol
LogP1.44
Rot. Bonds8

About N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide

N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide (PubChem CID 133083516) has the molecular formula C17H23N5O6S2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide
PubChem CID133083516
Molecular FormulaC17H23N5O6S2
Molecular Weight457.53 g/mol
Exact Mass457.11
IUPAC NameN-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide
SMILESCOc1ncnc(NS(=O)(=O)c2ccc(NS(=O)(=O)N3CCCCC3)cc2)c1OC
InChIInChI=1S/C17H23N5O6S2/c1-27-15-16(18-12-19-17(15)28-2)21-29(23,24)14-8-6-13(7-9-14)20-30(25,26)22-10-4-3-5-11-22/h6-9,12,20H,3-5,10-11H2,1-2H3,(H,18,19,21)
InChIKeyPTDUVEDUYQHEFE-UHFFFAOYSA-N
XLogP1.44
TPSA139.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 17134
N-(5,6-dimethoxypyrimidin-4-yl)-4-(5-formylfuran-2-yl)benzenesulfonamide
CID 169336208
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 169331614
N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
N-[6-[[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]methyl]-4-oxo-3H-pteridin-2-yl]acetamide
CID 137243579
N-(5,6-dimethoxypyrimidin-4-yl)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
CID 135426892
N-(4-propan-2-yloxyphenyl)piperidine-1-sulfonamide
CID 110705941
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 135506880
N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide
CID 167755588
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-(5,6-dichloropyrimidin-4-yl)piperidine-1-sulfonamide
CID 114049141
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide?
The IUPAC name of N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide (CID 133083516) is N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide is COc1ncnc(NS(=O)(=O)c2ccc(NS(=O)(=O)N3CCCCC3)cc2)c1OC.
What is the InChIKey of N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide?
The InChIKey is PTDUVEDUYQHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O6S2/c1-27-15-16(18-12-19-17(15)28-2)21-29(23,24)14-8-6-13(7-9-14)20-30(25,26)22-10-4-3-5-11-22/h6-9,12,20H,3-5,10-11H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide?
N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide has a molecular weight of 457.53 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 133083516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).