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

C26H21BrN2O3S2 — CID 21169748

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H21BrN2O3S2/c27-20-11-13-21(14-12-20)28-26(30)25(19-7-3-1-4-8-19)33-23-17-15-22(16-18-23)29-34(31,32)24-9-5-2-6-10-24/h1-18,25,29H,(H,28,30)
InChIKeySMCQLRAXLSIOIO-UHFFFAOYSA-N
MW553.50 g/mol
LogP6.72
Rot. Bonds8

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

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide (PubChem CID 21169748) has the molecular formula C26H21BrN2O3S2 and a molecular weight of 553.50 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
PubChem CID21169748
Molecular FormulaC26H21BrN2O3S2
Molecular Weight553.50 g/mol
Exact Mass552.02
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H21BrN2O3S2/c27-20-11-13-21(14-12-20)28-26(30)25(19-7-3-1-4-8-19)33-23-17-15-22(16-18-23)29-34(31,32)24-9-5-2-6-10-24/h1-18,25,29H,(H,28,30)
InChIKeySMCQLRAXLSIOIO-UHFFFAOYSA-N
XLogP6.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.50
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-chlorophenyl)-2-phenylacetamide
CID 23100906
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993
N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 21168358
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(9,10-dioxoanthracen-1-yl)-2-phenylacetamide
CID 21171584
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 23099752
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 21168898
(E)-4-[4-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786175
N-(3-chloro-4-methylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21168789
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
CID 21167685

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide (CID 21169748) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide is O=C(Nc1ccc(Br)cc1)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide?
The InChIKey is SMCQLRAXLSIOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN2O3S2/c27-20-11-13-21(14-12-20)28-26(30)25(19-7-3-1-4-8-19)33-23-17-15-22(16-18-23)29-34(31,32)24-9-5-2-6-10-24/h1-18,25,29H,(H,28,30).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide has a molecular weight of 553.50 g/mol, XLogP of 6.72, 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-(4-bromophenyl)-2-phenylacetamide is sourced from PubChem (CID 21169748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).