(1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide

C13H15ClN4O3S — CID 155231302

IUPAC(1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide
SMILESCNS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(O)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C13H15ClN4O3S/c1-15-22(20,21)18-5-10-11(6-18)13(10,19)9-2-7(14)3-12-8(9)4-16-17-12/h2-4,10-11,15,19H,5-6H2,1H3,(H,16,17)/t10-,11+,13?
InChIKeyRXPRFGMQAAEALV-QYJAPNMZSA-N
MW342.81 g/mol
LogP0.43
Rot. Bonds3

About (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide

(1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide (PubChem CID 155231302) has the molecular formula C13H15ClN4O3S and a molecular weight of 342.81 g/mol. Its IUPAC name is (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide.

Molecular Properties

Compound Name(1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide
PubChem CID155231302
Molecular FormulaC13H15ClN4O3S
Molecular Weight342.81 g/mol
Exact Mass342.06
IUPAC Name(1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide
SMILESCNS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(O)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C13H15ClN4O3S/c1-15-22(20,21)18-5-10-11(6-18)13(10,19)9-2-7(14)3-12-8(9)4-16-17-12/h2-4,10-11,15,19H,5-6H2,1H3,(H,16,17)/t10-,11+,13?
InChIKeyRXPRFGMQAAEALV-QYJAPNMZSA-N
XLogP0.43
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide?
The IUPAC name of (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide (CID 155231302) is (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide.
What is the SMILES notation for (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide?
The canonical SMILES for (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide is CNS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(O)c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide?
The InChIKey is RXPRFGMQAAEALV-QYJAPNMZSA-N. The full InChI is InChI=1S/C13H15ClN4O3S/c1-15-22(20,21)18-5-10-11(6-18)13(10,19)9-2-7(14)3-12-8(9)4-16-17-12/h2-4,10-11,15,19H,5-6H2,1H3,(H,16,17)/t10-,11+,13?.
What are the key properties of (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide?
(1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide has a molecular weight of 342.81 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide is sourced from PubChem (CID 155231302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).