2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide

C21H19ClN2O3S2 — CID 126412818

IUPAC2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
SMILESO=C(NCCSc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19ClN2O3S2/c22-16-10-12-17(13-11-16)28-15-14-23-21(25)19-8-4-5-9-20(19)24-29(26,27)18-6-2-1-3-7-18/h1-13,24H,14-15H2,(H,23,25)
InChIKeyCRLKFYIBRHCRDG-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.66
Rot. Bonds8

About 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide

2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide (PubChem CID 126412818) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
PubChem CID126412818
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC Name2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
SMILESO=C(NCCSc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19ClN2O3S2/c22-16-10-12-17(13-11-16)28-15-14-23-21(25)19-8-4-5-9-20(19)24-29(26,27)18-6-2-1-3-7-18/h1-13,24H,14-15H2,(H,23,25)
InChIKeyCRLKFYIBRHCRDG-UHFFFAOYSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412821
2-[(4-chlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55527722
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
2-(benzenesulfonamido)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide;oxalic acid
CID 70507423
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
CID 124544509

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide (CID 126412818) is 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide is O=C(NCCSc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide?
The InChIKey is CRLKFYIBRHCRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c22-16-10-12-17(13-11-16)28-15-14-23-21(25)19-8-4-5-9-20(19)24-29(26,27)18-6-2-1-3-7-18/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide?
2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide has a molecular weight of 446.98 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 126412818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).