N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C15H17N3O5S — CID 18096764

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCOc3ccccc32)c(=O)n(C)c1=O
InChIInChI=1S/C15H17N3O5S/c1-17-9-13(14(19)18(2)15(17)20)24(21,22)16-11-7-8-23-12-6-4-3-5-10(11)12/h3-6,9,11,16H,7-8H2,1-2H3
InChIKeyPWUXDJCKWNFSBC-UHFFFAOYSA-N
MW351.38 g/mol
LogP-0.11
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 18096764) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID18096764
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCOc3ccccc32)c(=O)n(C)c1=O
InChIInChI=1S/C15H17N3O5S/c1-17-9-13(14(19)18(2)15(17)20)24(21,22)16-11-7-8-23-12-6-4-3-5-10(11)12/h3-6,9,11,16H,7-8H2,1-2H3
InChIKeyPWUXDJCKWNFSBC-UHFFFAOYSA-N
XLogP-0.11
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 17487417
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
CID 61108787
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
5-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methyltriazole-4-sulfonamide
CID 106467586
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide
CID 124607407
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
(2R,6R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51930254
N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106444297
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydronaphthalene-2-sulfonamide
CID 18194280
N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
CID 108781652
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 18096764) is N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC2CCOc3ccccc32)c(=O)n(C)c1=O.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is PWUXDJCKWNFSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-17-9-13(14(19)18(2)15(17)20)24(21,22)16-11-7-8-23-12-6-4-3-5-10(11)12/h3-6,9,11,16H,7-8H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 351.38 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 18096764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).