methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate

C12H11Cl2N3O4S — CID 134007714

IUPACmethyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ncn(C)c2Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N3O4S/c1-17-6-15-11(10(17)14)22(19,20)16-7-3-4-9(13)8(5-7)12(18)21-2/h3-6,16H,1-2H3
InChIKeySCFNRKVFKICAMI-UHFFFAOYSA-N
MW364.21 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate

methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate (PubChem CID 134007714) has the molecular formula C12H11Cl2N3O4S and a molecular weight of 364.21 g/mol. Its IUPAC name is methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
PubChem CID134007714
Molecular FormulaC12H11Cl2N3O4S
Molecular Weight364.21 g/mol
Exact Mass362.98
IUPAC Namemethyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ncn(C)c2Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N3O4S/c1-17-6-15-11(10(17)14)22(19,20)16-7-3-4-9(13)8(5-7)12(18)21-2/h3-6,16H,1-2H3
InChIKeySCFNRKVFKICAMI-UHFFFAOYSA-N
XLogP2.31
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 40727014
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 61051800
methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate
CID 110626545

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate (CID 134007714) is methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate is COC(=O)c1cc(NS(=O)(=O)c2ncn(C)c2Cl)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate?
The InChIKey is SCFNRKVFKICAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O4S/c1-17-6-15-11(10(17)14)22(19,20)16-7-3-4-9(13)8(5-7)12(18)21-2/h3-6,16H,1-2H3.
What are the key properties of methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate?
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate has a molecular weight of 364.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 134007714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).