7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide

C14H7BrCl2F2N2OS — CID 142393319

IUPAC7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide
SMILESO=S(Nc1cc(F)c(Cl)cc1F)c1c[nH]c2c(Br)c(Cl)ccc12
InChIInChI=1S/C14H7BrCl2F2N2OS/c15-13-7(16)2-1-6-12(5-20-14(6)13)23(22)21-11-4-9(18)8(17)3-10(11)19/h1-5,20-21H
InChIKeyKZQDDNVBLWCXIU-UHFFFAOYSA-N
MW440.10 g/mol
LogP5.65
Rot. Bonds3

About 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide

7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide (PubChem CID 142393319) has the molecular formula C14H7BrCl2F2N2OS and a molecular weight of 440.10 g/mol. Its IUPAC name is 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide.

Molecular Properties

Compound Name7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide
PubChem CID142393319
Molecular FormulaC14H7BrCl2F2N2OS
Molecular Weight440.10 g/mol
Exact Mass437.88
IUPAC Name7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide
SMILESO=S(Nc1cc(F)c(Cl)cc1F)c1c[nH]c2c(Br)c(Cl)ccc12
InChIInChI=1S/C14H7BrCl2F2N2OS/c15-13-7(16)2-1-6-12(5-20-14(6)13)23(22)21-11-4-9(18)8(17)3-10(11)19/h1-5,20-21H
InChIKeyKZQDDNVBLWCXIU-UHFFFAOYSA-N
XLogP5.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.10
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide?
The IUPAC name of 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide (CID 142393319) is 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide.
What is the SMILES notation for 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide?
The canonical SMILES for 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide is O=S(Nc1cc(F)c(Cl)cc1F)c1c[nH]c2c(Br)c(Cl)ccc12.
What is the InChIKey of 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide?
The InChIKey is KZQDDNVBLWCXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2N2OS/c15-13-7(16)2-1-6-12(5-20-14(6)13)23(22)21-11-4-9(18)8(17)3-10(11)19/h1-5,20-21H.
What are the key properties of 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide?
7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide has a molecular weight of 440.10 g/mol, XLogP of 5.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide is sourced from PubChem (CID 142393319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).