[4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite

C14H14Cl2N4O2S — CID 176711076

IUPAC[4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite
SMILESCCCn1ncc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1OCl
InChIInChI=1S/C14H14Cl2N4O2S/c1-2-5-20-14(22-16)12(7-18-20)19-23(21)13-8-17-11-6-9(15)3-4-10(11)13/h3-4,6-8,17,19H,2,5H2,1H3
InChIKeyLWXBNRZTSXDDLR-UHFFFAOYSA-N
MW373.27 g/mol
LogP4.10
Rot. Bonds6

About [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite

[4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite (PubChem CID 176711076) has the molecular formula C14H14Cl2N4O2S and a molecular weight of 373.27 g/mol. Its IUPAC name is [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite.

Molecular Properties

Compound Name[4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite
PubChem CID176711076
Molecular FormulaC14H14Cl2N4O2S
Molecular Weight373.27 g/mol
Exact Mass372.02
IUPAC Name[4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite
SMILESCCCn1ncc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1OCl
InChIInChI=1S/C14H14Cl2N4O2S/c1-2-5-20-14(22-16)12(7-18-20)19-23(21)13-8-17-11-6-9(15)3-4-10(11)13/h3-4,6-8,17,19H,2,5H2,1H3
InChIKeyLWXBNRZTSXDDLR-UHFFFAOYSA-N
XLogP4.10
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
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-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
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
6-chloro-N-[3-chloro-5-[difluoro(hydroxy)methyl]-1-methylpyrazol-4-yl]-1H-indole-3-sulfinamide
CID 176710847
[4-[[7-[amino-[(Z)-2-aminoprop-1-enyl]amino]-6-chloro-1H-indol-3-yl]sulfinylamino]-1-(difluoromethyl)pyrazol-5-yl] hypochlorite
CID 176710940
6-chloro-N-[5-cyano-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176711072
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
1-(6-chloro-1H-indol-3-yl)octan-1-one
CID 43341995
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-propyl-1H-indole-3-sulfinamide
CID 164908277
N-(5,6-difluoro-1H-indol-3-yl)octane-1-sulfinamide
CID 164554051

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite?
The IUPAC name of [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite (CID 176711076) is [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite.
What is the SMILES notation for [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite?
The canonical SMILES for [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite is CCCn1ncc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1OCl.
What is the InChIKey of [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite?
The InChIKey is LWXBNRZTSXDDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2S/c1-2-5-20-14(22-16)12(7-18-20)19-23(21)13-8-17-11-6-9(15)3-4-10(11)13/h3-4,6-8,17,19H,2,5H2,1H3.
What are the key properties of [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite?
[4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite has a molecular weight of 373.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite is sourced from PubChem (CID 176711076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).