methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate

C15H13ClN2O6S — CID 18971377

IUPACmethyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O6S/c1-24-14(20)12-7-4-10(19)8-13(12)17-15(21)18-25(22,23)11-5-2-9(16)3-6-11/h2-8,19H,1H3,(H2,17,18,21)
InChIKeyFECIHJZFSOBDNS-UHFFFAOYSA-N
MW384.80 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate

methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate (PubChem CID 18971377) has the molecular formula C15H13ClN2O6S and a molecular weight of 384.80 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate
PubChem CID18971377
Molecular FormulaC15H13ClN2O6S
Molecular Weight384.80 g/mol
Exact Mass384.02
IUPAC Namemethyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O6S/c1-24-14(20)12-7-4-10(19)8-13(12)17-15(21)18-25(22,23)11-5-2-9(16)3-6-11/h2-8,19H,1H3,(H2,17,18,21)
InChIKeyFECIHJZFSOBDNS-UHFFFAOYSA-N
XLogP2.34
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate?
The IUPAC name of methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate (CID 18971377) is methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate is COC(=O)c1ccc(O)cc1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate?
The InChIKey is FECIHJZFSOBDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O6S/c1-24-14(20)12-7-4-10(19)8-13(12)17-15(21)18-25(22,23)11-5-2-9(16)3-6-11/h2-8,19H,1H3,(H2,17,18,21).
What are the key properties of methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate?
methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate has a molecular weight of 384.80 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate is sourced from PubChem (CID 18971377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).