N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

C22H19NO3S2 — CID 66906819

IUPACN-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19NO3S2/c1-26-19-10-7-8-17(14-19)16-23(28(24,25)20-11-3-2-4-12-20)22-15-18-9-5-6-13-21(18)27-22/h2-15H,16H2,1H3
InChIKeyJNKLGSAJLCKAQU-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.31
Rot. Bonds6

About N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 66906819) has the molecular formula C22H19NO3S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID66906819
Molecular FormulaC22H19NO3S2
Molecular Weight409.53 g/mol
Exact Mass409.08
IUPAC NameN-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19NO3S2/c1-26-19-10-7-8-17(14-19)16-23(28(24,25)20-11-3-2-4-12-20)22-15-18-9-5-6-13-21(18)27-22/h2-15H,16H2,1H3
InChIKeyJNKLGSAJLCKAQU-UHFFFAOYSA-N
XLogP5.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (CID 66906819) is N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is COc1cccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is JNKLGSAJLCKAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S2/c1-26-19-10-7-8-17(14-19)16-23(28(24,25)20-11-3-2-4-12-20)22-15-18-9-5-6-13-21(18)27-22/h2-15H,16H2,1H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 409.53 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66906819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).