6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide

C13H10Cl2F2N4O2S — CID 176710847

IUPAC6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide
SMILESCn1nc(Cl)c(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1C(O)(F)F
InChIInChI=1S/C13H10Cl2F2N4O2S/c1-21-11(13(16,17)22)10(12(15)19-21)20-24(23)9-5-18-8-4-6(14)2-3-7(8)9/h2-5,18,20,22H,1H3
InChIKeyVGHVXRDIOUAJNP-UHFFFAOYSA-N
MW395.22 g/mol
LogP3.38
Rot. Bonds4

About 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide

6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide (PubChem CID 176710847) has the molecular formula C13H10Cl2F2N4O2S and a molecular weight of 395.22 g/mol. Its IUPAC name is 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide.

Molecular Properties

Compound Name6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide
PubChem CID176710847
Molecular FormulaC13H10Cl2F2N4O2S
Molecular Weight395.22 g/mol
Exact Mass393.99
IUPAC Name6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide
SMILESCn1nc(Cl)c(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1C(O)(F)F
InChIInChI=1S/C13H10Cl2F2N4O2S/c1-21-11(13(16,17)22)10(12(15)19-21)20-24(23)9-5-18-8-4-6(14)2-3-7(8)9/h2-5,18,20,22H,1H3
InChIKeyVGHVXRDIOUAJNP-UHFFFAOYSA-N
XLogP3.38
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1-methyl-5-propylpyrazol-3-yl)-1H-indole-3-sulfinamide
CID 176710941
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide
CID 176710844
6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide
CID 174183765
[4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite
CID 176711076
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
2-(6-chloro-1H-indol-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596477
6-amino-N-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 166319482
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 113210455
6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
CID 167746508
6-chloro-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)-1H-indole-3-sulfonamide
CID 167928947
6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide?
The IUPAC name of 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide (CID 176710847) is 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide.
What is the SMILES notation for 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide?
The canonical SMILES for 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide is Cn1nc(Cl)c(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1C(O)(F)F.
What is the InChIKey of 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide?
The InChIKey is VGHVXRDIOUAJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F2N4O2S/c1-21-11(13(16,17)22)10(12(15)19-21)20-24(23)9-5-18-8-4-6(14)2-3-7(8)9/h2-5,18,20,22H,1H3.
What are the key properties of 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide?
6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide has a molecular weight of 395.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide is sourced from PubChem (CID 176710847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).