sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide

C16H19N2NaO5S — CID 164946757

IUPACsodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide
SMILESCc1cc(C)cc(NC(=O)[N-]S(=O)(=O)c2cc(C(C)(C)O)co2)c1.[Na+]
InChIInChI=1S/C16H20N2O5S.Na/c1-10-5-11(2)7-13(6-10)17-15(19)18-24(21,22)14-8-12(9-23-14)16(3,4)20;/h5-9,20H,1-4H3,(H2,17,18,19);/q;+1/p-1
InChIKeyCRCJPDAMPOLGQC-UHFFFAOYSA-M
MW374.39 g/mol
LogP0.42
Rot. Bonds4

About sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide

sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide (PubChem CID 164946757) has the molecular formula C16H19N2NaO5S and a molecular weight of 374.39 g/mol. Its IUPAC name is sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide.

Molecular Properties

Compound Namesodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide
PubChem CID164946757
Molecular FormulaC16H19N2NaO5S
Molecular Weight374.39 g/mol
Exact Mass374.09
IUPAC Namesodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide
SMILESCc1cc(C)cc(NC(=O)[N-]S(=O)(=O)c2cc(C(C)(C)O)co2)c1.[Na+]
InChIInChI=1S/C16H20N2O5S.Na/c1-10-5-11(2)7-13(6-10)17-15(19)18-24(21,22)14-8-12(9-23-14)16(3,4)20;/h5-9,20H,1-4H3,(H2,17,18,19);/q;+1/p-1
InChIKeyCRCJPDAMPOLGQC-UHFFFAOYSA-M
XLogP0.42
TPSA110.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide?
The IUPAC name of sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide (CID 164946757) is sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide.
What is the SMILES notation for sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide?
The canonical SMILES for sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide is Cc1cc(C)cc(NC(=O)[N-]S(=O)(=O)c2cc(C(C)(C)O)co2)c1.[Na+].
What is the InChIKey of sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide?
The InChIKey is CRCJPDAMPOLGQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H20N2O5S.Na/c1-10-5-11(2)7-13(6-10)17-15(19)18-24(21,22)14-8-12(9-23-14)16(3,4)20;/h5-9,20H,1-4H3,(H2,17,18,19);/q;+1/p-1.
What are the key properties of sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide?
sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide has a molecular weight of 374.39 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3,5-dimethylphenyl)carbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide is sourced from PubChem (CID 164946757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).