(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol

C16H21ClN4O3S — CID 155231237

IUPAC(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
SMILESCCCNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C16H21ClN4O3S/c1-2-3-19-25(23,24)21-15-10-6-16(22,7-11(10)15)13-4-9(17)5-14-12(13)8-18-20-14/h4-5,8,10-11,15,19,21-22H,2-3,6-7H2,1H3,(H,18,20)/t10-,11+,15?,16?
InChIKeyVBPVSUIFSVWUQZ-IUOZQUQDSA-N
MW384.89 g/mol
LogP1.65
Rot. Bonds6

About (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol

(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol (PubChem CID 155231237) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
PubChem CID155231237
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC Name(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
SMILESCCCNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12
InChIInChI=1S/C16H21ClN4O3S/c1-2-3-19-25(23,24)21-15-10-6-16(22,7-11(10)15)13-4-9(17)5-14-12(13)8-18-20-14/h4-5,8,10-11,15,19,21-22H,2-3,6-7H2,1H3,(H,18,20)/t10-,11+,15?,16?
InChIKeyVBPVSUIFSVWUQZ-IUOZQUQDSA-N
XLogP1.65
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol (CID 155231237) is (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol is CCCNS(=O)(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12.
What is the InChIKey of (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol?
The InChIKey is VBPVSUIFSVWUQZ-IUOZQUQDSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-2-3-19-25(23,24)21-15-10-6-16(22,7-11(10)15)13-4-9(17)5-14-12(13)8-18-20-14/h4-5,8,10-11,15,19,21-22H,2-3,6-7H2,1H3,(H,18,20)/t10-,11+,15?,16?.
What are the key properties of (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol?
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol has a molecular weight of 384.89 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 155231237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).