1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene

C13H8Cl2NO3S- — CID 174469319

IUPAC1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene
SMILESO=C(Cl)c1cc(Cl)cc(NS(=O)[O-])c1-c1ccccc1
InChIInChI=1S/C13H9Cl2NO3S/c14-9-6-10(13(15)17)12(8-4-2-1-3-5-8)11(7-9)16-20(18)19/h1-7,16H,(H,18,19)/p-1
InChIKeyLTWGWZHGFKSFSA-UHFFFAOYSA-M
MW329.18 g/mol
LogP3.59
Rot. Bonds4

About 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene

1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene (PubChem CID 174469319) has the molecular formula C13H8Cl2NO3S- and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene.

Molecular Properties

Compound Name1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene
PubChem CID174469319
Molecular FormulaC13H8Cl2NO3S-
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC Name1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene
SMILESO=C(Cl)c1cc(Cl)cc(NS(=O)[O-])c1-c1ccccc1
InChIInChI=1S/C13H9Cl2NO3S/c14-9-6-10(13(15)17)12(8-4-2-1-3-5-8)11(7-9)16-20(18)19/h1-7,16H,(H,18,19)/p-1
InChIKeyLTWGWZHGFKSFSA-UHFFFAOYSA-M
XLogP3.59
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-5-carboxy-2-phenyl-3-(sulfinatoamino)benzene
CID 58033473
1-carboxy-2-(sulfinatoamino)benzene
CID 22718755
1-phenyl-3-(sulfinatoamino)benzene
CID 57143520
2,5-dichloro-3-phenylbenzoic acid
CID 70699464
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
2-carboxy-5-(4-chlorophenyl)-3-[4-(sulfinatoamino)phenyl]thiophene
CID 118213662
5-fluoro-2-phenylbenzoyl chloride
CID 46314879
5-nitro-2-phenylbenzoyl chloride
CID 21406523
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
4-chloro-2-phenylbenzoic acid
CID 11424784
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
5-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097755

Frequently Asked Questions

What is the IUPAC name of 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene?
The IUPAC name of 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene (CID 174469319) is 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene.
What is the SMILES notation for 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene?
The canonical SMILES for 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene is O=C(Cl)c1cc(Cl)cc(NS(=O)[O-])c1-c1ccccc1.
What is the InChIKey of 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene?
The InChIKey is LTWGWZHGFKSFSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9Cl2NO3S/c14-9-6-10(13(15)17)12(8-4-2-1-3-5-8)11(7-9)16-20(18)19/h1-7,16H,(H,18,19)/p-1.
What are the key properties of 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene?
1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene has a molecular weight of 329.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbonochloridoyl-5-chloro-2-phenyl-3-(sulfinatoamino)benzene is sourced from PubChem (CID 174469319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).