propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate

C10H15N3O4S — CID 114461496

IUPACpropan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C10H15N3O4S/c1-7(2)17-10(14)13-18(15,16)12-9-6-4-3-5-8(9)11/h3-7,12H,11H2,1-2H3,(H,13,14)
InChIKeyTZAQHQZOGVEQAF-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.06
Rot. Bonds4

About propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate

propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate (PubChem CID 114461496) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
PubChem CID114461496
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namepropan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C10H15N3O4S/c1-7(2)17-10(14)13-18(15,16)12-9-6-4-3-5-8(9)11/h3-7,12H,11H2,1-2H3,(H,13,14)
InChIKeyTZAQHQZOGVEQAF-UHFFFAOYSA-N
XLogP1.06
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
CID 114461500
propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate
CID 114461222
2-chloro-6-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114462676
propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
propan-2-yl N-[(2-aminophenyl)-propylsulfamoyl]carbamate
CID 114461730
propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate
CID 114463481
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
2-[(2-aminophenyl)sulfamoyl]propanoic acid
CID 61457996
propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463692

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate (CID 114461496) is propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)Nc1ccccc1N.
What is the InChIKey of propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate?
The InChIKey is TZAQHQZOGVEQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(2)17-10(14)13-18(15,16)12-9-6-4-3-5-8(9)11/h3-7,12H,11H2,1-2H3,(H,13,14).
What are the key properties of propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate?
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate has a molecular weight of 273.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114461496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).