4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide

C18H17FN2O2S — CID 10688810

IUPAC4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2S/c1-20(2)24(22,23)17-11-9-16(10-12-17)21-13-3-4-18(21)14-5-7-15(19)8-6-14/h3-13H,1-2H3
InChIKeyOXCBKSZUXJXAGS-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.53
Rot. Bonds4

About 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide

4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 10688810) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID10688810
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2S/c1-20(2)24(22,23)17-11-9-16(10-12-17)21-13-3-4-18(21)14-5-7-15(19)8-6-14/h3-13H,1-2H3
InChIKeyOXCBKSZUXJXAGS-UHFFFAOYSA-N
XLogP3.53
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide (CID 10688810) is 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OXCBKSZUXJXAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-20(2)24(22,23)17-11-9-16(10-12-17)21-13-3-4-18(21)14-5-7-15(19)8-6-14/h3-13H,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 344.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrrol-1-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 10688810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).