2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide

C13H16N2O2S — CID 110873967

IUPAC2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc[nH]2)c(C)c1
InChIInChI=1S/C13H16N2O2S/c1-10-5-6-13(11(2)8-10)18(16,17)15-9-12-4-3-7-14-12/h3-8,14-15H,9H2,1-2H3
InChIKeyIYHVWILEOVPNOB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.11
Rot. Bonds4

About 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide

2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide (PubChem CID 110873967) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide
PubChem CID110873967
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc[nH]2)c(C)c1
InChIInChI=1S/C13H16N2O2S/c1-10-5-6-13(11(2)8-10)18(16,17)15-9-12-4-3-7-14-12/h3-8,14-15H,9H2,1-2H3
InChIKeyIYHVWILEOVPNOB-UHFFFAOYSA-N
XLogP2.11
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide (CID 110873967) is 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc[nH]2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide?
The InChIKey is IYHVWILEOVPNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-5-6-13(11(2)8-10)18(16,17)15-9-12-4-3-7-14-12/h3-8,14-15H,9H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide?
2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110873967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).