[4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite

C17H16ClFN2S2 — CID 164863462

IUPAC[4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite
SMILESCC(C)c1ccc(NSc2ccc(SF)cc2)c2[nH]cc(Cl)c12
InChIInChI=1S/C17H16ClFN2S2/c1-10(2)13-7-8-15(17-16(13)14(18)9-20-17)21-23-12-5-3-11(22-19)4-6-12/h3-10,20-21H,1-2H3
InChIKeyMTDFTCLJQRNSFE-UHFFFAOYSA-N
MW366.91 g/mol
LogP7.04
Rot. Bonds5

About [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite

[4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite (PubChem CID 164863462) has the molecular formula C17H16ClFN2S2 and a molecular weight of 366.91 g/mol. Its IUPAC name is [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite.

Molecular Properties

Compound Name[4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite
PubChem CID164863462
Molecular FormulaC17H16ClFN2S2
Molecular Weight366.91 g/mol
Exact Mass366.04
IUPAC Name[4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite
SMILESCC(C)c1ccc(NSc2ccc(SF)cc2)c2[nH]cc(Cl)c12
InChIInChI=1S/C17H16ClFN2S2/c1-10(2)13-7-8-15(17-16(13)14(18)9-20-17)21-23-12-5-3-11(22-19)4-6-12/h3-10,20-21H,1-2H3
InChIKeyMTDFTCLJQRNSFE-UHFFFAOYSA-N
XLogP7.04
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.91
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[4-(3-methylbutoxy)phenyl]sulfanyl-1H-indol-7-amine
CID 164877569
3,4-dichloro-N-[4-[6-(methylamino)hexoxy]phenyl]sulfanyl-1H-indol-7-amine
CID 164877744
3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide
CID 164877481
N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide
CID 164863473
3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-[2-(1-methylazetidin-3-yl)ethyl]benzamide
CID 164877450
7-[(4-cyanophenyl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 153329674
2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline
CID 143960301
3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine
CID 170949399
3-chloro-7-(1,3-thiazol-5-ylsulfanylamino)-1H-indole-4-carbonitrile
CID 170949538
3,4-dichloro-N-[3-[2-(1-methylindol-3-yl)ethoxy]phenyl]sulfanyl-1H-indol-7-amine
CID 164877526
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]-1H-indol-7-amine
CID 177318923

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite?
The IUPAC name of [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite (CID 164863462) is [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite.
What is the SMILES notation for [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite?
The canonical SMILES for [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite is CC(C)c1ccc(NSc2ccc(SF)cc2)c2[nH]cc(Cl)c12.
What is the InChIKey of [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite?
The InChIKey is MTDFTCLJQRNSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2S2/c1-10(2)13-7-8-15(17-16(13)14(18)9-20-17)21-23-12-5-3-11(22-19)4-6-12/h3-10,20-21H,1-2H3.
What are the key properties of [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite?
[4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite has a molecular weight of 366.91 g/mol, XLogP of 7.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-propan-2-yl-1H-indol-7-yl)amino]sulfanylphenyl] thiohypofluorite is sourced from PubChem (CID 164863462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).