N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

C21H23FN2O2S — CID 53000322

IUPACN-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccn2Cc2ccccc2F)c(C)c1
InChIInChI=1S/C21H23FN2O2S/c1-15-11-16(2)21(17(3)12-15)27(25,26)23-13-19-8-6-10-24(19)14-18-7-4-5-9-20(18)22/h4-12,23H,13-14H2,1-3H3
InChIKeyOFGRXERHKSNULM-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.08
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 53000322) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID53000322
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccn2Cc2ccccc2F)c(C)c1
InChIInChI=1S/C21H23FN2O2S/c1-15-11-16(2)21(17(3)12-15)27(25,26)23-13-19-8-6-10-24(19)14-18-7-4-5-9-20(18)22/h4-12,23H,13-14H2,1-3H3
InChIKeyOFGRXERHKSNULM-UHFFFAOYSA-N
XLogP4.08
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylsulfamoyl]-4-methylphenyl]acetamide
CID 53000336
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide
CID 20963925
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22206182
1-(2-fluorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951349
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 20963939
N-[2-(2-fluorophenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31282077
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113027057
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-4-ethoxybenzenesulfonamide
CID 20963959
N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide
CID 20963940
4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzenesulfonamide
CID 53000346
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (CID 53000322) is N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cccn2Cc2ccccc2F)c(C)c1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is OFGRXERHKSNULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c1-15-11-16(2)21(17(3)12-15)27(25,26)23-13-19-8-6-10-24(19)14-18-7-4-5-9-20(18)22/h4-12,23H,13-14H2,1-3H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 386.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 53000322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).