N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide

C22H21NO5S2 — CID 55844593

IUPACN-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
SMILESO=C(NCCS(=O)(=O)c1ccccc1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21NO5S2/c24-22(23-14-15-29(25,26)20-10-3-1-4-11-20)19-9-7-8-18(16-19)17-30(27,28)21-12-5-2-6-13-21/h1-13,16H,14-15,17H2,(H,23,24)
InChIKeyFPFPTGJCXUELKI-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.86
Rot. Bonds8

About N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide

N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide (PubChem CID 55844593) has the molecular formula C22H21NO5S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
PubChem CID55844593
Molecular FormulaC22H21NO5S2
Molecular Weight443.55 g/mol
Exact Mass443.09
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
SMILESO=C(NCCS(=O)(=O)c1ccccc1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21NO5S2/c24-22(23-14-15-29(25,26)20-10-3-1-4-11-20)19-9-7-8-18(16-19)17-30(27,28)21-12-5-2-6-13-21/h1-13,16H,14-15,17H2,(H,23,24)
InChIKeyFPFPTGJCXUELKI-UHFFFAOYSA-N
XLogP2.86
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 55776645
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311
3-(benzenesulfonylmethyl)-N-but-3-ynylsulfonylbenzamide
CID 100741201
3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559372
3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide
CID 55773574
3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446967
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943575
3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 55774654
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide
CID 55734276

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide (CID 55844593) is N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide is O=C(NCCS(=O)(=O)c1ccccc1)c1cccc(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide?
The InChIKey is FPFPTGJCXUELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S2/c24-22(23-14-15-29(25,26)20-10-3-1-4-11-20)19-9-7-8-18(16-19)17-30(27,28)21-12-5-2-6-13-21/h1-13,16H,14-15,17H2,(H,23,24).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide?
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide has a molecular weight of 443.55 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide is sourced from PubChem (CID 55844593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).