phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate

C19H13Cl2NO4S — CID 142402098

IUPACphenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2Cl)cc1)Oc1ccccc1
InChIInChI=1S/C19H13Cl2NO4S/c20-13-6-11-18(17(21)12-13)27(24,25)16-9-7-14(8-10-16)22-19(23)26-15-4-2-1-3-5-15/h1-12H,(H,22,23)
InChIKeyVAJMRTKNLWYVNY-UHFFFAOYSA-N
MW422.29 g/mol
LogP5.44
Rot. Bonds4

About phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate

phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate (PubChem CID 142402098) has the molecular formula C19H13Cl2NO4S and a molecular weight of 422.29 g/mol. Its IUPAC name is phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate
PubChem CID142402098
Molecular FormulaC19H13Cl2NO4S
Molecular Weight422.29 g/mol
Exact Mass420.99
IUPAC Namephenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2Cl)cc1)Oc1ccccc1
InChIInChI=1S/C19H13Cl2NO4S/c20-13-6-11-18(17(21)12-13)27(24,25)16-9-7-14(8-10-16)22-19(23)26-15-4-2-1-3-5-15/h1-12H,(H,22,23)
InChIKeyVAJMRTKNLWYVNY-UHFFFAOYSA-N
XLogP5.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.29
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate?
The IUPAC name of phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate (CID 142402098) is phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate?
The canonical SMILES for phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate is O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2Cl)cc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate?
The InChIKey is VAJMRTKNLWYVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4S/c20-13-6-11-18(17(21)12-13)27(24,25)16-9-7-14(8-10-16)22-19(23)26-15-4-2-1-3-5-15/h1-12H,(H,22,23).
What are the key properties of phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate?
phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate has a molecular weight of 422.29 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate is sourced from PubChem (CID 142402098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).