3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

C14H11ClNO4S- — CID 2345454

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[O-])c1
InChIInChI=1S/C14H12ClNO4S/c1-16(12-6-3-5-11(15)9-12)21(19,20)13-7-2-4-10(8-13)14(17)18/h2-9H,1H3,(H,17,18)/p-1
InChIKeyYXSFTRWOVSFWNH-UHFFFAOYSA-M
MW324.77 g/mol
LogP1.53
Rot. Bonds4

About 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (PubChem CID 2345454) has the molecular formula C14H11ClNO4S- and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
PubChem CID2345454
Molecular FormulaC14H11ClNO4S-
Molecular Weight324.77 g/mol
Exact Mass324.01
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[O-])c1
InChIInChI=1S/C14H12ClNO4S/c1-16(12-6-3-5-11(15)9-12)21(19,20)13-7-2-4-10(8-13)14(17)18/h2-9H,1H3,(H,17,18)/p-1
InChIKeyYXSFTRWOVSFWNH-UHFFFAOYSA-M
XLogP1.53
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
CID 86847643
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
CID 55343956
(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 27347939
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
ethyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 55983911
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42977769

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (CID 2345454) is 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[O-])c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is YXSFTRWOVSFWNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClNO4S/c1-16(12-6-3-5-11(15)9-12)21(19,20)13-7-2-4-10(8-13)14(17)18/h2-9H,1H3,(H,17,18)/p-1.
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 324.77 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2345454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).