5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide

C22H21ClN2O3S2 — CID 30400846

IUPAC5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
SMILESO=C(NCCSCc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H21ClN2O3S2/c23-21-12-11-18(25-30(27,28)19-9-5-2-6-10-19)15-20(21)22(26)24-13-14-29-16-17-7-3-1-4-8-17/h1-12,15,25H,13-14,16H2,(H,24,26)
InChIKeyVASXHMWYVAWGCC-UHFFFAOYSA-N
MW461.01 g/mol
LogP4.80
Rot. Bonds9

About 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide

5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide (PubChem CID 30400846) has the molecular formula C22H21ClN2O3S2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
PubChem CID30400846
Molecular FormulaC22H21ClN2O3S2
Molecular Weight461.01 g/mol
Exact Mass460.07
IUPAC Name5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
SMILESO=C(NCCSCc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H21ClN2O3S2/c23-21-12-11-18(25-30(27,28)19-9-5-2-6-10-19)15-20(21)22(26)24-13-14-29-16-17-7-3-1-4-8-17/h1-12,15,25H,13-14,16H2,(H,24,26)
InChIKeyVASXHMWYVAWGCC-UHFFFAOYSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 54.80
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

4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 46762901
4-(benzenesulfonamido)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 39548091
5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
CID 38014027
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414764
N-(2-benzylsulfanylethyl)-2-chloro-4,5-difluorobenzamide
CID 32965453
2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide
CID 43909164
1-(2-benzylsulfanylethyl)-3-(3,4-dichlorophenyl)urea
CID 100569621
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412821
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide?
The IUPAC name of 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide (CID 30400846) is 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide is O=C(NCCSCc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide?
The InChIKey is VASXHMWYVAWGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S2/c23-21-12-11-18(25-30(27,28)19-9-5-2-6-10-19)15-20(21)22(26)24-13-14-29-16-17-7-3-1-4-8-17/h1-12,15,25H,13-14,16H2,(H,24,26).
What are the key properties of 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide?
5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide has a molecular weight of 461.01 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide is sourced from PubChem (CID 30400846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).