1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea

C16H20N4O7S2 — CID 150710736

IUPAC1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea
SMILESCOc1cc(NC(=O)NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2C)nc(OC)c1
InChIInChI=1S/C16H20N4O7S2/c1-10-5-6-11(19-28(4,22)23)7-13(10)29(24,25)20-16(21)18-14-8-12(26-2)9-15(17-14)27-3/h5-9,19H,1-4H3,(H2,17,18,20,21)
InChIKeyJNVDBQYGSGTXLX-UHFFFAOYSA-N
MW444.49 g/mol
LogP1.29
Rot. Bonds7

About 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea

1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea (PubChem CID 150710736) has the molecular formula C16H20N4O7S2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea
PubChem CID150710736
Molecular FormulaC16H20N4O7S2
Molecular Weight444.49 g/mol
Exact Mass444.08
IUPAC Name1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea
SMILESCOc1cc(NC(=O)NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2C)nc(OC)c1
InChIInChI=1S/C16H20N4O7S2/c1-10-5-6-11(19-28(4,22)23)7-13(10)29(24,25)20-16(21)18-14-8-12(26-2)9-15(17-14)27-3/h5-9,19H,1-4H3,(H2,17,18,20,21)
InChIKeyJNVDBQYGSGTXLX-UHFFFAOYSA-N
XLogP1.29
TPSA152.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate
CID 174334464
ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 14577225
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 26642328
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 3383117
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100560370
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea (CID 150710736) is 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea is COc1cc(NC(=O)NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2C)nc(OC)c1.
What is the InChIKey of 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea?
The InChIKey is JNVDBQYGSGTXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O7S2/c1-10-5-6-11(19-28(4,22)23)7-13(10)29(24,25)20-16(21)18-14-8-12(26-2)9-15(17-14)27-3/h5-9,19H,1-4H3,(H2,17,18,20,21).
What are the key properties of 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea?
1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea has a molecular weight of 444.49 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea is sourced from PubChem (CID 150710736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).