ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate

C10H13FN2O4S — CID 60728396

IUPACethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C10H13FN2O4S/c1-3-17-10(14)12-7-4-5-8(11)9(6-7)13-18(2,15)16/h4-6,13H,3H2,1-2H3,(H,12,14)
InChIKeyUJIFPYQFOWKILP-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.77
Rot. Bonds4

About ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate

ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate (PubChem CID 60728396) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
PubChem CID60728396
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Nameethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C10H13FN2O4S/c1-3-17-10(14)12-7-4-5-8(11)9(6-7)13-18(2,15)16/h4-6,13H,3H2,1-2H3,(H,12,14)
InChIKeyUJIFPYQFOWKILP-UHFFFAOYSA-N
XLogP1.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60941392
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910
ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
CID 60534530

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate?
The IUPAC name of ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate (CID 60728396) is ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate is CCOC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate?
The InChIKey is UJIFPYQFOWKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-3-17-10(14)12-7-4-5-8(11)9(6-7)13-18(2,15)16/h4-6,13H,3H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate?
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate has a molecular weight of 276.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate is sourced from PubChem (CID 60728396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).