4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide

C17H20N2O2S — CID 139461973

IUPAC4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
SMILESCC(C)c1cccc(C2CC2c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H20N2O2S/c1-11(2)16-4-3-5-17(19-16)15-10-14(15)12-6-8-13(9-7-12)22(18,20)21/h3-9,11,14-15H,10H2,1-2H3,(H2,18,20,21)
InChIKeyMREITMHKMMKNCN-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.12
Rot. Bonds4

About 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide

4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide (PubChem CID 139461973) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
PubChem CID139461973
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
SMILESCC(C)c1cccc(C2CC2c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H20N2O2S/c1-11(2)16-4-3-5-17(19-16)15-10-14(15)12-6-8-13(9-7-12)22(18,20)21/h3-9,11,14-15H,10H2,1-2H3,(H2,18,20,21)
InChIKeyMREITMHKMMKNCN-UHFFFAOYSA-N
XLogP3.12
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide (CID 139461973) is 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide is CC(C)c1cccc(C2CC2c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide?
The InChIKey is MREITMHKMMKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11(2)16-4-3-5-17(19-16)15-10-14(15)12-6-8-13(9-7-12)22(18,20)21/h3-9,11,14-15H,10H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide?
4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 139461973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).