methyl 4-(dimethylsulfamoylamino)benzoate

C10H14N2O4S — CID 884458

IUPACmethyl 4-(dimethylsulfamoylamino)benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H14N2O4S/c1-12(2)17(14,15)11-9-6-4-8(5-7-9)10(13)16-3/h4-7,11H,1-3H3
InChIKeyYJZCKHQAVBGVRA-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.69
Rot. Bonds4

About methyl 4-(dimethylsulfamoylamino)benzoate

methyl 4-(dimethylsulfamoylamino)benzoate (PubChem CID 884458) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 4-(dimethylsulfamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(dimethylsulfamoylamino)benzoate
PubChem CID884458
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 4-(dimethylsulfamoylamino)benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H14N2O4S/c1-12(2)17(14,15)11-9-6-4-8(5-7-9)10(13)16-3/h4-7,11H,1-3H3
InChIKeyYJZCKHQAVBGVRA-UHFFFAOYSA-N
XLogP0.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoylamino)benzoic acid
CID 653734
methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate
CID 113035429
hexyl 4-(dimethylsulfamoylamino)benzoate
CID 110443478
methyl 2-[4-(dimethylsulfamoylamino)anilino]benzoate
CID 112988468
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
methyl 4-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoate
CID 60675409
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334
methyl 4-[[4-(diethylaminomethyl)phenyl]sulfamoylmethyl]benzoate
CID 92681479

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylsulfamoylamino)benzoate?
The IUPAC name of methyl 4-(dimethylsulfamoylamino)benzoate (CID 884458) is methyl 4-(dimethylsulfamoylamino)benzoate.
What is the SMILES notation for methyl 4-(dimethylsulfamoylamino)benzoate?
The canonical SMILES for methyl 4-(dimethylsulfamoylamino)benzoate is COC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of methyl 4-(dimethylsulfamoylamino)benzoate?
The InChIKey is YJZCKHQAVBGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-12(2)17(14,15)11-9-6-4-8(5-7-9)10(13)16-3/h4-7,11H,1-3H3.
What are the key properties of methyl 4-(dimethylsulfamoylamino)benzoate?
methyl 4-(dimethylsulfamoylamino)benzoate has a molecular weight of 258.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylsulfamoylamino)benzoate is sourced from PubChem (CID 884458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).