methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate

C12H17ClN2O4S — CID 99639450

IUPACmethyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCN(C)C)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-15(2)7-6-14-20(17,18)9-4-5-11(13)10(8-9)12(16)19-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyJLARROWMKDTBGG-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.97
Rot. Bonds6

About methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate

methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate (PubChem CID 99639450) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate
PubChem CID99639450
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Namemethyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCN(C)C)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-15(2)7-6-14-20(17,18)9-4-5-11(13)10(8-9)12(16)19-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyJLARROWMKDTBGG-UHFFFAOYSA-N
XLogP0.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
methyl 5-[3-(dimethylamino)propylsulfamoyl]-2-hydroxybenzoate
CID 61061961
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991491
methyl 2-chloro-4-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119043378
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethyl-methylcarbamic acid
CID 139396861
2-chloro-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743
methyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)benzoate
CID 133250840
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate (CID 99639450) is methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate is COC(=O)c1cc(S(=O)(=O)NCCN(C)C)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate?
The InChIKey is JLARROWMKDTBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-15(2)7-6-14-20(17,18)9-4-5-11(13)10(8-9)12(16)19-3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate?
methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate has a molecular weight of 320.80 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate is sourced from PubChem (CID 99639450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).