2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide

C26H21ClN2O3S2 — CID 23100906

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccccc1Cl)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H21ClN2O3S2/c27-23-13-7-8-14-24(23)28-26(30)25(19-9-3-1-4-10-19)33-21-17-15-20(16-18-21)29-34(31,32)22-11-5-2-6-12-22/h1-18,25,29H,(H,28,30)
InChIKeyONZDJPYKJWHTAL-UHFFFAOYSA-N
MW509.05 g/mol
LogP6.61
Rot. Bonds8

About 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide (PubChem CID 23100906) has the molecular formula C26H21ClN2O3S2 and a molecular weight of 509.05 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
PubChem CID23100906
Molecular FormulaC26H21ClN2O3S2
Molecular Weight509.05 g/mol
Exact Mass508.07
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccccc1Cl)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H21ClN2O3S2/c27-23-13-7-8-14-24(23)28-26(30)25(19-9-3-1-4-10-19)33-21-17-15-20(16-18-21)29-34(31,32)22-11-5-2-6-12-22/h1-18,25,29H,(H,28,30)
InChIKeyONZDJPYKJWHTAL-UHFFFAOYSA-N
XLogP6.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.05
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
CID 21167685
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(9,10-dioxoanthracen-1-yl)-2-phenylacetamide
CID 21171584
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 21167349
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
N-(3-chloro-4-methylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21168789
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 23099752
2,4-dichloro-N-[4-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21169072
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide (CID 23100906) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide is O=C(Nc1ccccc1Cl)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide?
The InChIKey is ONZDJPYKJWHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O3S2/c27-23-13-7-8-14-24(23)28-26(30)25(19-9-3-1-4-10-19)33-21-17-15-20(16-18-21)29-34(31,32)22-11-5-2-6-12-22/h1-18,25,29H,(H,28,30).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide has a molecular weight of 509.05 g/mol, XLogP of 6.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide is sourced from PubChem (CID 23100906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).