N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide

C19H26N2O2S — CID 110641803

IUPACN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cc(C)n(C3CC3)c2C)c(C)c1
InChIInChI=1S/C19H26N2O2S/c1-12-8-13(2)19(14(3)9-12)24(22,23)20-11-17-10-15(4)21(16(17)5)18-6-7-18/h8-10,18,20H,6-7,11H2,1-5H3
InChIKeyFJIBBSZOKORIJN-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.84
Rot. Bonds5

About N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide

N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 110641803) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID110641803
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cc(C)n(C3CC3)c2C)c(C)c1
InChIInChI=1S/C19H26N2O2S/c1-12-8-13(2)19(14(3)9-12)24(22,23)20-11-17-10-15(4)21(16(17)5)18-6-7-18/h8-10,18,20H,6-7,11H2,1-5H3
InChIKeyFJIBBSZOKORIJN-UHFFFAOYSA-N
XLogP3.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide (CID 110641803) is N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cc(C)n(C3CC3)c2C)c(C)c1.
What is the InChIKey of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is FJIBBSZOKORIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-12-8-13(2)19(14(3)9-12)24(22,23)20-11-17-10-15(4)21(16(17)5)18-6-7-18/h8-10,18,20H,6-7,11H2,1-5H3.
What are the key properties of N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 110641803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).