methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate

C13H16FN3O6S — CID 2095257

IUPACmethyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate
SMILESCOC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H16FN3O6S/c1-22-13(19)16-15-12(18)9-2-3-10(14)11(8-9)24(20,21)17-4-6-23-7-5-17/h2-3,8H,4-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyQNWDQVNXSWTCBY-UHFFFAOYSA-N
MW361.35 g/mol
LogP-0.15
Rot. Bonds3

About methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate

methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate (PubChem CID 2095257) has the molecular formula C13H16FN3O6S and a molecular weight of 361.35 g/mol. Its IUPAC name is methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate
PubChem CID2095257
Molecular FormulaC13H16FN3O6S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Namemethyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate
SMILESCOC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H16FN3O6S/c1-22-13(19)16-15-12(18)9-2-3-10(14)11(8-9)24(20,21)17-4-6-23-7-5-17/h2-3,8H,4-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyQNWDQVNXSWTCBY-UHFFFAOYSA-N
XLogP-0.15
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate?
The IUPAC name of methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate (CID 2095257) is methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate.
What is the SMILES notation for methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate?
The canonical SMILES for methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate is COC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate?
The InChIKey is QNWDQVNXSWTCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O6S/c1-22-13(19)16-15-12(18)9-2-3-10(14)11(8-9)24(20,21)17-4-6-23-7-5-17/h2-3,8H,4-7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate?
methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate has a molecular weight of 361.35 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]carbamate is sourced from PubChem (CID 2095257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).