1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea

C14H17N5O7S — CID 12875194

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(=O)Nc2nc(OC)nc(OC)n2)c1
InChIInChI=1S/C14H17N5O7S/c1-23-8-5-6-9(24-2)10(7-8)27(21,22)19-12(20)15-11-16-13(25-3)18-14(17-11)26-4/h5-7H,1-4H3,(H2,15,16,17,18,19,20)
InChIKeyCKMXSSJNLLCONF-UHFFFAOYSA-N
MW399.39 g/mol
LogP0.42
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea

1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea (PubChem CID 12875194) has the molecular formula C14H17N5O7S and a molecular weight of 399.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
PubChem CID12875194
Molecular FormulaC14H17N5O7S
Molecular Weight399.39 g/mol
Exact Mass399.08
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(=O)Nc2nc(OC)nc(OC)n2)c1
InChIInChI=1S/C14H17N5O7S/c1-23-8-5-6-9(24-2)10(7-8)27(21,22)19-12(20)15-11-16-13(25-3)18-14(17-11)26-4/h5-7H,1-4H3,(H2,15,16,17,18,19,20)
InChIKeyCKMXSSJNLLCONF-UHFFFAOYSA-N
XLogP0.42
TPSA150.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 14835177
N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 47347665
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
1-[2-[(E)-but-2-enoxy]phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 13321801
1-[2-(cyclopropylmethoxy)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 70527394
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea
CID 23044833
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 18402899
CID 88679981
CID 88679981
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 139201725

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea (CID 12875194) is 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea is COc1ccc(OC)c(S(=O)(=O)NC(=O)Nc2nc(OC)nc(OC)n2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea?
The InChIKey is CKMXSSJNLLCONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O7S/c1-23-8-5-6-9(24-2)10(7-8)27(21,22)19-12(20)15-11-16-13(25-3)18-14(17-11)26-4/h5-7H,1-4H3,(H2,15,16,17,18,19,20).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea?
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea has a molecular weight of 399.39 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 12875194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).