1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate

C15H13Cl2NO4S — CID 18083132

IUPAC1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate
SMILESCC(OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-9(11-4-2-3-5-12(11)16)22-15(19)10-6-7-13(17)14(8-10)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
InChIKeyVCPIGAQSZXATTM-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.56
Rot. Bonds4

About 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate

1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate (PubChem CID 18083132) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate
PubChem CID18083132
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate
SMILESCC(OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-9(11-4-2-3-5-12(11)16)22-15(19)10-6-7-13(17)14(8-10)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
InChIKeyVCPIGAQSZXATTM-UHFFFAOYSA-N
XLogP3.56
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl] 2,4-dichloro-5-sulfamoylbenzoate
CID 8762036
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
CID 18102722
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 135739558
1,3-dinitrooxypropan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 25133756
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 2638592
1-(2-chlorophenyl)ethyl 4-methylsulfinylbenzoate
CID 18192610
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 9105832
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
1-(2-chlorophenyl)ethyl 1,3-benzodioxole-5-carboxylate
CID 18081790
[(1S)-1-(2-chlorophenyl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841856
1-nitrooxypropan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 25133412

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate (CID 18083132) is 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate is CC(OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate?
The InChIKey is VCPIGAQSZXATTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-9(11-4-2-3-5-12(11)16)22-15(19)10-6-7-13(17)14(8-10)23(18,20)21/h2-9H,1H3,(H2,18,20,21).
What are the key properties of 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate?
1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate has a molecular weight of 374.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 18083132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).