methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate

C12H14ClNO4S — CID 139512737

IUPACmethyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate
SMILESCOC(=O)c1cc(Cl)cc(C)c1NS(=O)(=O)C1CC1
InChIInChI=1S/C12H14ClNO4S/c1-7-5-8(13)6-10(12(15)18-2)11(7)14-19(16,17)9-3-4-9/h5-6,9,14H,3-4H2,1-2H3
InChIKeyRDKODYYYDZCIPX-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.34
Rot. Bonds4

About methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate

methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate (PubChem CID 139512737) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate
PubChem CID139512737
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Namemethyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate
SMILESCOC(=O)c1cc(Cl)cc(C)c1NS(=O)(=O)C1CC1
InChIInChI=1S/C12H14ClNO4S/c1-7-5-8(13)6-10(12(15)18-2)11(7)14-19(16,17)9-3-4-9/h5-6,9,14H,3-4H2,1-2H3
InChIKeyRDKODYYYDZCIPX-UHFFFAOYSA-N
XLogP2.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate?
The IUPAC name of methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate (CID 139512737) is methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate.
What is the SMILES notation for methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate?
The canonical SMILES for methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate is COC(=O)c1cc(Cl)cc(C)c1NS(=O)(=O)C1CC1.
What is the InChIKey of methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate?
The InChIKey is RDKODYYYDZCIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-7-5-8(13)6-10(12(15)18-2)11(7)14-19(16,17)9-3-4-9/h5-6,9,14H,3-4H2,1-2H3.
What are the key properties of methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate?
methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate has a molecular weight of 303.77 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate is sourced from PubChem (CID 139512737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).