N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

C22H19NO2S2 — CID 66906553

IUPACN-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19NO2S2/c1-17-9-5-6-11-19(17)16-23(27(24,25)20-12-3-2-4-13-20)22-15-18-10-7-8-14-21(18)26-22/h2-15H,16H2,1H3
InChIKeyNOUHDKIAZJVYPR-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.61
Rot. Bonds5

About N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 66906553) has the molecular formula C22H19NO2S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID66906553
Molecular FormulaC22H19NO2S2
Molecular Weight393.53 g/mol
Exact Mass393.09
IUPAC NameN-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19NO2S2/c1-17-9-5-6-11-19(17)16-23(27(24,25)20-12-3-2-4-13-20)22-15-18-10-7-8-14-21(18)26-22/h2-15H,16H2,1H3
InChIKeyNOUHDKIAZJVYPR-UHFFFAOYSA-N
XLogP5.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 66906553) is N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is NOUHDKIAZJVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S2/c1-17-9-5-6-11-19(17)16-23(27(24,25)20-12-3-2-4-13-20)22-15-18-10-7-8-14-21(18)26-22/h2-15H,16H2,1H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 393.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66906553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).