methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate

C10H14N2O5S — CID 114464024

IUPACmethyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate
SMILESCCc1ccc(O)c(NS(=O)(=O)NC(=O)OC)c1
InChIInChI=1S/C10H14N2O5S/c1-3-7-4-5-9(13)8(6-7)11-18(15,16)12-10(14)17-2/h4-6,11,13H,3H2,1-2H3,(H,12,14)
InChIKeyCQZJZHAHJMTYKD-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.97
Rot. Bonds4

About methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate

methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate (PubChem CID 114464024) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate
PubChem CID114464024
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Namemethyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate
SMILESCCc1ccc(O)c(NS(=O)(=O)NC(=O)OC)c1
InChIInChI=1S/C10H14N2O5S/c1-3-7-4-5-9(13)8(6-7)11-18(15,16)12-10(14)17-2/h4-6,11,13H,3H2,1-2H3,(H,12,14)
InChIKeyCQZJZHAHJMTYKD-UHFFFAOYSA-N
XLogP0.97
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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CID 7264
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CID 70982
2-Amino-4-isopropylphenol
CID 662440
2-Amino-4-sec-butylphenol
CID 100028
2-Amino-4-propylphenol
CID 721138
2-Aminop-cresol hydrochloride
CID 3014155
2-Amino-4-((3-amino-4-hydroxyphenyl)methyl)phenol
CID 138746
Methyl 3-(3-amino-4-hydroxyphenyl)propanoate
CID 21505793
N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide
CID 54947465
3-(3-Amino-4-hydroxyphenyl)propanoic acid
CID 2774247
N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamide
CID 9837752
(R)-N-(5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl)methanesulfonamide
CID 12047933

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate (CID 114464024) is methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate is CCc1ccc(O)c(NS(=O)(=O)NC(=O)OC)c1.
What is the InChIKey of methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate?
The InChIKey is CQZJZHAHJMTYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-3-7-4-5-9(13)8(6-7)11-18(15,16)12-10(14)17-2/h4-6,11,13H,3H2,1-2H3,(H,12,14).
What are the key properties of methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate?
methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate has a molecular weight of 274.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114464024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).