(2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate

C16H14Cl2N2O5S — CID 4852083

IUPAC(2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
SMILESNC(=O)CNS(=O)(=O)c1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O5S/c17-13-5-2-6-14(18)12(13)9-25-16(22)10-3-1-4-11(7-10)26(23,24)20-8-15(19)21/h1-7,20H,8-9H2,(H2,19,21)
InChIKeyGERMOZCVGSTWFN-UHFFFAOYSA-N
MW417.27 g/mol
LogP2.11
Rot. Bonds7

About (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate

(2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate (PubChem CID 4852083) has the molecular formula C16H14Cl2N2O5S and a molecular weight of 417.27 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
PubChem CID4852083
Molecular FormulaC16H14Cl2N2O5S
Molecular Weight417.27 g/mol
Exact Mass416.00
IUPAC Name(2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
SMILESNC(=O)CNS(=O)(=O)c1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O5S/c17-13-5-2-6-14(18)12(13)9-25-16(22)10-3-1-4-11(7-10)26(23,24)20-8-15(19)21/h1-7,20H,8-9H2,(H2,19,21)
InChIKeyGERMOZCVGSTWFN-UHFFFAOYSA-N
XLogP2.11
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 7973883
(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393
(2,6-dichlorophenyl)methyl 3-acetamidobenzoate
CID 976117
(2,6-dichlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2406084
(2,6-dichlorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2382756
(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43039119
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
(6-chloro-3-pyridinyl)methyl 3-(ethylsulfamoyl)benzoate
CID 30749513
(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677110
methyl 3-(2-methylprop-2-enylsulfamoyl)benzoate
CID 114616574
(3-acetyl-2,4,6-trimethylphenyl)methyl 3-(prop-2-ynylsulfamoyl)benzoate
CID 55449951
naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
CID 8837154

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate (CID 4852083) is (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate is NC(=O)CNS(=O)(=O)c1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The InChIKey is GERMOZCVGSTWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O5S/c17-13-5-2-6-14(18)12(13)9-25-16(22)10-3-1-4-11(7-10)26(23,24)20-8-15(19)21/h1-7,20H,8-9H2,(H2,19,21).
What are the key properties of (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
(2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate has a molecular weight of 417.27 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate is sourced from PubChem (CID 4852083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).