N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide

C15H18ClN3O2S — CID 138580397

IUPACN-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide
SMILESCS(=O)NCC1C2CC(O)(c3cc(Cl)cc4[nH]ncc34)CC12
InChIInChI=1S/C15H18ClN3O2S/c1-22(21)18-7-11-9-4-15(20,5-10(9)11)13-2-8(16)3-14-12(13)6-17-19-14/h2-3,6,9-11,18,20H,4-5,7H2,1H3,(H,17,19)
InChIKeyCXTJUAKPYJXIPP-UHFFFAOYSA-N
MW339.85 g/mol
LogP1.94
Rot. Bonds4

About N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide

N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide (PubChem CID 138580397) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide.

Molecular Properties

Compound NameN-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide
PubChem CID138580397
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide
SMILESCS(=O)NCC1C2CC(O)(c3cc(Cl)cc4[nH]ncc34)CC12
InChIInChI=1S/C15H18ClN3O2S/c1-22(21)18-7-11-9-4-15(20,5-10(9)11)13-2-8(16)3-14-12(13)6-17-19-14/h2-3,6,9-11,18,20H,4-5,7H2,1H3,(H,17,19)
InChIKeyCXTJUAKPYJXIPP-UHFFFAOYSA-N
XLogP1.94
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide with MolForge

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Related Compounds

6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride
CID 155631307
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol
CID 155231247
(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
CID 138580508
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
CID 155231237
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide
CID 138580498
1-(6-chloro-1H-indazol-4-yl)cyclopropan-1-ol
CID 138580255
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide
CID 138580623
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide
CID 138580273
6-chloro-N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide
CID 138580384
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide
CID 138580625
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide
CID 138580525
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-(methanesulfonamido)benzamide
CID 138580392

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide?
The IUPAC name of N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide (CID 138580397) is N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide.
What is the SMILES notation for N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide?
The canonical SMILES for N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide is CS(=O)NCC1C2CC(O)(c3cc(Cl)cc4[nH]ncc34)CC12.
What is the InChIKey of N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide?
The InChIKey is CXTJUAKPYJXIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-22(21)18-7-11-9-4-15(20,5-10(9)11)13-2-8(16)3-14-12(13)6-17-19-14/h2-3,6,9-11,18,20H,4-5,7H2,1H3,(H,17,19).
What are the key properties of N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide?
N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide has a molecular weight of 339.85 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide is sourced from PubChem (CID 138580397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).