propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate

C11H16FN3O4S — CID 114461222

IUPACpropan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1cccc(F)c1CN
InChIInChI=1S/C11H16FN3O4S/c1-7(2)19-11(16)15-20(17,18)14-10-5-3-4-9(12)8(10)6-13/h3-5,7,14H,6,13H2,1-2H3,(H,15,16)
InChIKeyLXPLPUFVSKAOGO-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.08
Rot. Bonds5

About propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate

propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate (PubChem CID 114461222) has the molecular formula C11H16FN3O4S and a molecular weight of 305.33 g/mol. Its IUPAC name is propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate
PubChem CID114461222
Molecular FormulaC11H16FN3O4S
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC Namepropan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1cccc(F)c1CN
InChIInChI=1S/C11H16FN3O4S/c1-7(2)19-11(16)15-20(17,18)14-10-5-3-4-9(12)8(10)6-13/h3-5,7,14H,6,13H2,1-2H3,(H,15,16)
InChIKeyLXPLPUFVSKAOGO-UHFFFAOYSA-N
XLogP1.08
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
2-chloro-6-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114462676
propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate
CID 114467559
propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463692
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
CID 114461500
4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114461975
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
methyl 4-[2-(aminomethyl)-3-fluoroanilino]benzoate
CID 95476605

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate (CID 114461222) is propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)Nc1cccc(F)c1CN.
What is the InChIKey of propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate?
The InChIKey is LXPLPUFVSKAOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4S/c1-7(2)19-11(16)15-20(17,18)14-10-5-3-4-9(12)8(10)6-13/h3-5,7,14H,6,13H2,1-2H3,(H,15,16).
What are the key properties of propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate?
propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 1.08, 5 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-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate is sourced from PubChem (CID 114461222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).