ethyl 2-[4-(methanesulfonamido)anilino]benzoate

C16H18N2O4S — CID 112989811

IUPACethyl 2-[4-(methanesulfonamido)anilino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-16(19)14-6-4-5-7-15(14)17-12-8-10-13(11-9-12)18-23(2,20)21/h4-11,17-18H,3H2,1-2H3
InChIKeyLHBGTOVYERSNSN-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.98
Rot. Bonds6

About ethyl 2-[4-(methanesulfonamido)anilino]benzoate

ethyl 2-[4-(methanesulfonamido)anilino]benzoate (PubChem CID 112989811) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 2-[4-(methanesulfonamido)anilino]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(methanesulfonamido)anilino]benzoate
PubChem CID112989811
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 2-[4-(methanesulfonamido)anilino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-16(19)14-6-4-5-7-15(14)17-12-8-10-13(11-9-12)18-23(2,20)21/h4-11,17-18H,3H2,1-2H3
InChIKeyLHBGTOVYERSNSN-UHFFFAOYSA-N
XLogP2.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
ethyl 2-[[6-(butylsulfonylamino)-3-pyridinyl]amino]benzoate
CID 113037031
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
methyl 2-[4-(butylsulfonylamino)anilino]benzoate
CID 112988467
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740541
ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113051086
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(methanesulfonamido)anilino]benzoate?
The IUPAC name of ethyl 2-[4-(methanesulfonamido)anilino]benzoate (CID 112989811) is ethyl 2-[4-(methanesulfonamido)anilino]benzoate.
What is the SMILES notation for ethyl 2-[4-(methanesulfonamido)anilino]benzoate?
The canonical SMILES for ethyl 2-[4-(methanesulfonamido)anilino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of ethyl 2-[4-(methanesulfonamido)anilino]benzoate?
The InChIKey is LHBGTOVYERSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-16(19)14-6-4-5-7-15(14)17-12-8-10-13(11-9-12)18-23(2,20)21/h4-11,17-18H,3H2,1-2H3.
What are the key properties of ethyl 2-[4-(methanesulfonamido)anilino]benzoate?
ethyl 2-[4-(methanesulfonamido)anilino]benzoate has a molecular weight of 334.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(methanesulfonamido)anilino]benzoate is sourced from PubChem (CID 112989811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).