methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate

C11H16N2O4S — CID 43624406

IUPACmethyl 2-(dimethylsulfamoylamino)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C11H16N2O4S/c1-8-5-6-10(9(7-8)11(14)17-4)12-18(15,16)13(2)3/h5-7,12H,1-4H3
InChIKeyZFMCAIXOYDWQHB-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.00
Rot. Bonds4

About methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate

methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate (PubChem CID 43624406) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(dimethylsulfamoylamino)-5-methylbenzoate
PubChem CID43624406
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-(dimethylsulfamoylamino)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C11H16N2O4S/c1-8-5-6-10(9(7-8)11(14)17-4)12-18(15,16)13(2)3/h5-7,12H,1-4H3
InChIKeyZFMCAIXOYDWQHB-UHFFFAOYSA-N
XLogP1.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(bromomethylsulfonylamino)-5-methylbenzoate
CID 83083614
methyl 5-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)benzoate
CID 114811459
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
propan-2-yl 2-(dimethylsulfamoylamino)benzoate
CID 133062998
methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
CID 62047918
4-(dimethylsulfamoylamino)-3-methylbenzoic acid
CID 28787969
5-bromo-2-(dimethylsulfamoylamino)benzoic acid
CID 55031300
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate
CID 43679208
methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
CID 47063153
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-methylbenzoate
CID 60847664
methyl 2-[4-(dimethylsulfamoylamino)anilino]benzoate
CID 112988468

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate?
The IUPAC name of methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate (CID 43624406) is methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate.
What is the SMILES notation for methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate?
The canonical SMILES for methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate is COC(=O)c1cc(C)ccc1NS(=O)(=O)N(C)C.
What is the InChIKey of methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate?
The InChIKey is ZFMCAIXOYDWQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-5-6-10(9(7-8)11(14)17-4)12-18(15,16)13(2)3/h5-7,12H,1-4H3.
What are the key properties of methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate?
methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate has a molecular weight of 272.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate is sourced from PubChem (CID 43624406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).