2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide

C15H15IN2O3S — CID 50891255

IUPAC2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)c2cccc(I)c2)cc1
InChIInChI=1S/C15H15IN2O3S/c1-11-5-7-14(8-6-11)22(20,21)18(10-15(17)19)13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyHCRUMWOVNVSWCR-UHFFFAOYSA-N
MW430.27 g/mol
LogP2.28
Rot. Bonds5

About 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide

2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 50891255) has the molecular formula C15H15IN2O3S and a molecular weight of 430.27 g/mol. Its IUPAC name is 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID50891255
Molecular FormulaC15H15IN2O3S
Molecular Weight430.27 g/mol
Exact Mass429.98
IUPAC Name2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)c2cccc(I)c2)cc1
InChIInChI=1S/C15H15IN2O3S/c1-11-5-7-14(8-6-11)22(20,21)18(10-15(17)19)13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyHCRUMWOVNVSWCR-UHFFFAOYSA-N
XLogP2.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50891265
2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891881
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 163543244
2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
CID 50891585
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891301
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891296
2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetyl chloride
CID 50891184
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891171
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 50889320

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 50891255) is 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(N)=O)c2cccc(I)c2)cc1.
What is the InChIKey of 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is HCRUMWOVNVSWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3S/c1-11-5-7-14(8-6-11)22(20,21)18(10-15(17)19)13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H2,17,19).
What are the key properties of 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide?
2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 430.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 50891255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).