N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide

C17H19ClN2O2S — CID 11537603

IUPACN-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-11(2)23(21,22)20-17-9-15(17)12-3-5-13(6-4-12)16-8-7-14(18)10-19-16/h3-8,10-11,15,17,20H,9H2,1-2H3/t15-,17+/m1/s1
InChIKeyQRLZNAAEZSFDJZ-WBVHZDCISA-N
MW350.87 g/mol
LogP3.59
Rot. Bonds5

About N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide

N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide (PubChem CID 11537603) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide
PubChem CID11537603
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-11(2)23(21,22)20-17-9-15(17)12-3-5-13(6-4-12)16-8-7-14(18)10-19-16/h3-8,10-11,15,17,20H,9H2,1-2H3/t15-,17+/m1/s1
InChIKeyQRLZNAAEZSFDJZ-WBVHZDCISA-N
XLogP3.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide (CID 11537603) is N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cn2)cc1.
What is the InChIKey of N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide?
The InChIKey is QRLZNAAEZSFDJZ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-11(2)23(21,22)20-17-9-15(17)12-3-5-13(6-4-12)16-8-7-14(18)10-19-16/h3-8,10-11,15,17,20H,9H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide?
N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide has a molecular weight of 350.87 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[4-(5-chloro-2-pyridinyl)phenyl]cyclopropyl]propane-2-sulfonamide is sourced from PubChem (CID 11537603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).