N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide

C14H11ClINOS — CID 114258787

IUPACN-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(I)ccc1Cl
InChIInChI=1S/C14H11ClINOS/c15-12-7-6-10(16)8-13(12)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyGEDFZXVAWKEQQS-UHFFFAOYSA-N
MW403.67 g/mol
LogP4.68
Rot. Bonds4

About N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide

N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide (PubChem CID 114258787) has the molecular formula C14H11ClINOS and a molecular weight of 403.67 g/mol. Its IUPAC name is N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide
PubChem CID114258787
Molecular FormulaC14H11ClINOS
Molecular Weight403.67 g/mol
Exact Mass402.93
IUPAC NameN-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(I)ccc1Cl
InChIInChI=1S/C14H11ClINOS/c15-12-7-6-10(16)8-13(12)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyGEDFZXVAWKEQQS-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide
CID 113238219
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide
CID 3984580
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-[[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785276
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402973
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 43298970
2-[[3-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895629

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide (CID 114258787) is N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cc(I)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide?
The InChIKey is GEDFZXVAWKEQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClINOS/c15-12-7-6-10(16)8-13(12)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide?
N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide has a molecular weight of 403.67 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 114258787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).