1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide

C20H27NO3S — CID 143967417

IUPAC1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCOCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H17NO3S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7(2)13(10,11)9-8-3-5-12-6-4-8/h1-10H;7-9H,3-6H2,1-2H3
InChIKeyIDHYHFNQTMMZHZ-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.85
Rot. Bonds4

About 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide

1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide (PubChem CID 143967417) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide
PubChem CID143967417
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC Name1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCOCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H17NO3S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7(2)13(10,11)9-8-3-5-12-6-4-8/h1-10H;7-9H,3-6H2,1-2H3
InChIKeyIDHYHFNQTMMZHZ-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide?
The IUPAC name of 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide (CID 143967417) is 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide.
What is the SMILES notation for 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide?
The canonical SMILES for 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCOCC1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide?
The InChIKey is IDHYHFNQTMMZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H17NO3S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7(2)13(10,11)9-8-3-5-12-6-4-8/h1-10H;7-9H,3-6H2,1-2H3.
What are the key properties of 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide?
1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 143967417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).