N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C14H15N3O5S — CID 167887858

IUPACN-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccnc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H15N3O5S/c1-20-14-4-5-15-13(17-14)9-16-23(18,19)10-2-3-11-12(8-10)22-7-6-21-11/h2-5,8,16H,6-7,9H2,1H3
InChIKeyMUOIWNDNTKXDDQ-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.73
Rot. Bonds5

About N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 167887858) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID167887858
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC NameN-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccnc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H15N3O5S/c1-20-14-4-5-15-13(17-14)9-16-23(18,19)10-2-3-11-12(8-10)22-7-6-21-11/h2-5,8,16H,6-7,9H2,1H3
InChIKeyMUOIWNDNTKXDDQ-UHFFFAOYSA-N
XLogP0.73
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 811934
N-[(3-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 123164663
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7510289
N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 801583
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47017062
N-[(6-methoxynaphthalen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 46696307
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53281595
N-(1,3-benzoxazol-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110785043
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967076
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122317983
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9191342
N-(2-propan-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110602848

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 167887858) is N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1ccnc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is MUOIWNDNTKXDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-20-14-4-5-15-13(17-14)9-16-23(18,19)10-2-3-11-12(8-10)22-7-6-21-11/h2-5,8,16H,6-7,9H2,1H3.
What are the key properties of N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 337.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 167887858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).