N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide

C14H15N3O4S — CID 122157515

IUPACN-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ncc(OC)cn2)c1
InChIInChI=1S/C14H15N3O4S/c1-3-13(18)10-5-4-6-12(7-10)22(19,20)17-14-15-8-11(21-2)9-16-14/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyXSWLQXKDSYFWHC-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.88
Rot. Bonds6

About N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide

N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide (PubChem CID 122157515) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
PubChem CID122157515
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ncc(OC)cn2)c1
InChIInChI=1S/C14H15N3O4S/c1-3-13(18)10-5-4-6-12(7-10)22(19,20)17-14-15-8-11(21-2)9-16-14/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyXSWLQXKDSYFWHC-UHFFFAOYSA-N
XLogP1.88
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
CID 63563189
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
N-[(2-methylpropan-2-yl)oxy]-3-propanoylbenzenesulfonamide
CID 107857568
3-propanoyl-N-(2,2,3-trimethylbutyl)benzenesulfonamide
CID 102609392
N-(3-methylbut-2-enyl)-3-propanoylbenzenesulfonamide
CID 103526960
3-propanoylbenzenesulfonic acid
CID 148597255
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 112838614
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide (CID 122157515) is N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)Nc2ncc(OC)cn2)c1.
What is the InChIKey of N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is XSWLQXKDSYFWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-3-13(18)10-5-4-6-12(7-10)22(19,20)17-14-15-8-11(21-2)9-16-14/h4-9H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide?
N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 122157515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).