N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide

C21H23N5O5S — CID 30854687

IUPACN-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCn1c(=O)c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)nc2n(C)c1=O
InChIInChI=1S/C21H23N5O5S/c1-24-18-16(19(27)25(2)21(24)29)8-9-17(22-18)20(28)26-12-10-14(11-13-26)23-32(30,31)15-6-4-3-5-7-15/h3-9,14,23H,10-13H2,1-2H3
InChIKeySOIXEEBCVCDWAF-UHFFFAOYSA-N
MW457.51 g/mol
LogP0.22
Rot. Bonds4

About N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 30854687) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID30854687
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC NameN-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCn1c(=O)c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)nc2n(C)c1=O
InChIInChI=1S/C21H23N5O5S/c1-24-18-16(19(27)25(2)21(24)29)8-9-17(22-18)20(28)26-12-10-14(11-13-26)23-32(30,31)15-6-4-3-5-7-15/h3-9,14,23H,10-13H2,1-2H3
InChIKeySOIXEEBCVCDWAF-UHFFFAOYSA-N
XLogP0.22
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790694
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 43059572
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119595635
1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 86971359
N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 41470534
N-[1-(2-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470065
7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124978988
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
N-[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470718

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 30854687) is N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide is Cn1c(=O)c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)nc2n(C)c1=O.
What is the InChIKey of N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is SOIXEEBCVCDWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-24-18-16(19(27)25(2)21(24)29)8-9-17(22-18)20(28)26-12-10-14(11-13-26)23-32(30,31)15-6-4-3-5-7-15/h3-9,14,23H,10-13H2,1-2H3.
What are the key properties of N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 457.51 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 30854687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).