N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide

C23H22N2O2S — CID 20963925

IUPACN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide
SMILESCc1ccccc1Cn1cccc1CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O2S/c1-18-7-2-3-10-21(18)17-25-14-6-11-22(25)16-24-28(26,27)23-13-12-19-8-4-5-9-20(19)15-23/h2-15,24H,16-17H2,1H3
InChIKeyDMYFYJHSWHEPQF-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.48
Rot. Bonds6

About N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide

N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide (PubChem CID 20963925) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide
PubChem CID20963925
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide
SMILESCc1ccccc1Cn1cccc1CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O2S/c1-18-7-2-3-10-21(18)17-25-14-6-11-22(25)16-24-28(26,27)23-13-12-19-8-4-5-9-20(19)15-23/h2-15,24H,16-17H2,1H3
InChIKeyDMYFYJHSWHEPQF-UHFFFAOYSA-N
XLogP4.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide (CID 20963925) is N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide is Cc1ccccc1Cn1cccc1CNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide?
The InChIKey is DMYFYJHSWHEPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-18-7-2-3-10-21(18)17-25-14-6-11-22(25)16-24-28(26,27)23-13-12-19-8-4-5-9-20(19)15-23/h2-15,24H,16-17H2,1H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide?
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 20963925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).