6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide

C12H11ClF2N2O2S — CID 167817801

IUPAC6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(NC1CC(F)(F)C1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H11ClF2N2O2S/c13-7-1-2-9-10(3-7)16-6-11(9)20(18,19)17-8-4-12(14,15)5-8/h1-3,6,8,16-17H,4-5H2
InChIKeyXWOSMPAJIRHITA-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.90
Rot. Bonds3

About 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide

6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide (PubChem CID 167817801) has the molecular formula C12H11ClF2N2O2S and a molecular weight of 320.75 g/mol. Its IUPAC name is 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide
PubChem CID167817801
Molecular FormulaC12H11ClF2N2O2S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Name6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(NC1CC(F)(F)C1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H11ClF2N2O2S/c13-7-1-2-9-10(3-7)16-6-11(9)20(18,19)17-8-4-12(14,15)5-8/h1-3,6,8,16-17H,4-5H2
InChIKeyXWOSMPAJIRHITA-UHFFFAOYSA-N
XLogP2.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide (CID 167817801) is 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide is O=S(=O)(NC1CC(F)(F)C1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide?
The InChIKey is XWOSMPAJIRHITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O2S/c13-7-1-2-9-10(3-7)16-6-11(9)20(18,19)17-8-4-12(14,15)5-8/h1-3,6,8,16-17H,4-5H2.
What are the key properties of 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide?
6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide has a molecular weight of 320.75 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 167817801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).