methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate

C10H15N3O5S — CID 114461612

IUPACmethyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C10H15N3O5S/c1-18-10(15)12-19(16,17)13(6-7-14)9-5-3-2-4-8(9)11/h2-5,14H,6-7,11H2,1H3,(H,12,15)
InChIKeyBDWBFFVRHUDVEC-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.33
Rot. Bonds5

About methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate

methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate (PubChem CID 114461612) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
PubChem CID114461612
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Namemethyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C10H15N3O5S/c1-18-10(15)12-19(16,17)13(6-7-14)9-5-3-2-4-8(9)11/h2-5,14H,6-7,11H2,1H3,(H,12,15)
InChIKeyBDWBFFVRHUDVEC-UHFFFAOYSA-N
XLogP-0.33
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid
CID 114461718
propan-2-yl N-[(2-aminophenyl)-propylsulfamoyl]carbamate
CID 114461730
1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
CID 114804521
ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate
CID 114461695
methyl N-[(3-amino-3-sulfanylidenepropyl)-phenylsulfamoyl]carbamate
CID 114463509
N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 43550524
N-(2-aminophenyl)-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550537
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 43550546
methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
4-[N-(methoxycarbonylsulfamoyl)anilino]butanoic acid
CID 114462201
methyl N-[[(3Z)-3-amino-3-hydroxyiminopropyl]-phenylsulfamoyl]carbamate
CID 114465885

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate (CID 114461612) is methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)N(CCO)c1ccccc1N.
What is the InChIKey of methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate?
The InChIKey is BDWBFFVRHUDVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-18-10(15)12-19(16,17)13(6-7-14)9-5-3-2-4-8(9)11/h2-5,14H,6-7,11H2,1H3,(H,12,15).
What are the key properties of methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate?
methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate has a molecular weight of 289.31 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate is sourced from PubChem (CID 114461612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).