ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate

C16H17N3O6S — CID 70690387

IUPACethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H17N3O6S/c1-2-24-15(20)11-4-3-5-13(10-11)19-16(21)18-12-6-8-14(9-7-12)25-26(17,22)23/h3-10H,2H2,1H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyKYIJUMMMSFZPPN-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.09
Rot. Bonds6

About ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate

ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate (PubChem CID 70690387) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
PubChem CID70690387
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Nameethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H17N3O6S/c1-2-24-15(20)11-4-3-5-13(10-11)19-16(21)18-12-6-8-14(9-7-12)25-26(17,22)23/h3-10H,2H2,1H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyKYIJUMMMSFZPPN-UHFFFAOYSA-N
XLogP2.09
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-({[4-(sulfamoyloxy)phenyl]carbamoyl}amino)benzoate
CID 70692550
[4-[(4-Acetylphenyl)carbamoylamino]phenyl] sulfamate
CID 70696643
4-[[(4-Methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
CID 970268
Ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
CID 70690386
N-{[(4-methoxyphenyl)amino]carbonyl}benzamide
CID 977500
2-(4-Methoxyphenyl)ethyl 3-acetamidobenzoate
CID 2662475
3-(3-(4-(Phenoxymethyl)phenyl)ureido)benzoic acid
CID 2812103
[4-[(3-Acetylphenyl)carbamoylamino]phenyl] sulfamate
CID 70681985
Methyl 3-(4-phenoxybutanoylamino)benzoate
CID 1570011
Dimethyl 5-[(2-methoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
CID 4637490
(4-{[(4-Methoxyphenyl)carbamoyl]amino}phenyl)acetic acid
CID 6465663
3-{[(4-Ethoxyphenyl)carbamoyl]amino}benzoic acid
CID 6465812

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate (CID 70690387) is ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1.
What is the InChIKey of ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate?
The InChIKey is KYIJUMMMSFZPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-2-24-15(20)11-4-3-5-13(10-11)19-16(21)18-12-6-8-14(9-7-12)25-26(17,22)23/h3-10H,2H2,1H3,(H2,17,22,23)(H2,18,19,21).
What are the key properties of ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate?
ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate has a molecular weight of 379.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 70690387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).