1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea

C15H18ClN3O5S — CID 147589499

IUPAC1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea
SMILESCc1cncc(C)c1NC(=O)NS(=O)(=O)c1cc(C(C)(C)O)c(Cl)o1
InChIInChI=1S/C15H18ClN3O5S/c1-8-6-17-7-9(2)12(8)18-14(20)19-25(22,23)11-5-10(13(16)24-11)15(3,4)21/h5-7,21H,1-4H3,(H2,17,18,19,20)
InChIKeyFXZSDCVKDIMQFN-UHFFFAOYSA-N
MW387.85 g/mol
LogP2.68
Rot. Bonds4

About 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea

1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea (PubChem CID 147589499) has the molecular formula C15H18ClN3O5S and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea
PubChem CID147589499
Molecular FormulaC15H18ClN3O5S
Molecular Weight387.85 g/mol
Exact Mass387.07
IUPAC Name1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea
SMILESCc1cncc(C)c1NC(=O)NS(=O)(=O)c1cc(C(C)(C)O)c(Cl)o1
InChIInChI=1S/C15H18ClN3O5S/c1-8-6-17-7-9(2)12(8)18-14(20)19-25(22,23)11-5-10(13(16)24-11)15(3,4)21/h5-7,21H,1-4H3,(H2,17,18,19,20)
InChIKeyFXZSDCVKDIMQFN-UHFFFAOYSA-N
XLogP2.68
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea with MolForge

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Related Compounds

1-[4-(2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
CID 134258190
1-[4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 134247768
5-[(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoylsulfamoyl]-2-methylfuran-3-carboxylic acid
CID 170717755
1-[5-(azetidin-3-yloxymethyl)-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 170717811
sodium;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea;hydride
CID 172875133
methyl 5-[(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoylsulfamoyl]-3-methylfuran-2-carboxylate
CID 170717762
1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)phenyl]sulfonylurea
CID 153337559
1,2,3,5,6,7-hexahydro-s-indacen-4-yl N-[5-cyclopropyl-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylcarbamate
CID 138571982
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
2-chloro-N-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 165466217
1-(4-chloro-2-methyl-6-propan-2-ylphenyl)-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea
CID 156508595
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)sulfonyl]urea
CID 166496178

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea?
The IUPAC name of 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea (CID 147589499) is 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea?
The canonical SMILES for 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea is Cc1cncc(C)c1NC(=O)NS(=O)(=O)c1cc(C(C)(C)O)c(Cl)o1.
What is the InChIKey of 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea?
The InChIKey is FXZSDCVKDIMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O5S/c1-8-6-17-7-9(2)12(8)18-14(20)19-25(22,23)11-5-10(13(16)24-11)15(3,4)21/h5-7,21H,1-4H3,(H2,17,18,19,20).
What are the key properties of 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea?
1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea has a molecular weight of 387.85 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-3-(3,5-dimethyl-4-pyridinyl)urea is sourced from PubChem (CID 147589499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).