4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide

C17H20N2O2S — CID 139461985

IUPAC4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
SMILESCC(C)c1cccc([C@@H]2C[C@H]2c2ccc(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)/t14-,15+/m0/s1
InChIKeyMREITMHKMMKNCN-LSDHHAIUSA-N
MW316.43 g/mol
LogP3.12
Rot. Bonds4

About 4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide

4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide (PubChem CID 139461985) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
PubChem CID139461985
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide
SMILESCC(C)c1cccc([C@@H]2C[C@H]2c2ccc(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)/t14-,15+/m0/s1
InChIKeyMREITMHKMMKNCN-LSDHHAIUSA-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-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide (CID 139461985) is 4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide is CC(C)c1cccc([C@@H]2C[C@H]2c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide?
The InChIKey is MREITMHKMMKNCN-LSDHHAIUSA-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)/t14-,15+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-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-[(1R,2R)-2-(6-propan-2-yl-2-pyridinyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 139461985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).