[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate

C13H9F3N2O4S — CID 174629530

IUPAC[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
InChIInChI=1S/C13H9F3N2O4S/c14-7-4-5-8(15)11(6-7)23(20,21)18-9-2-1-3-10(12(9)16)22-13(17)19/h1-6,18H,(H2,17,19)
InChIKeyXMWABAMLQGQVQS-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.36
Rot. Bonds4

About [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate

[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate (PubChem CID 174629530) has the molecular formula C13H9F3N2O4S and a molecular weight of 346.29 g/mol. Its IUPAC name is [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
PubChem CID174629530
Molecular FormulaC13H9F3N2O4S
Molecular Weight346.29 g/mol
Exact Mass346.02
IUPAC Name[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
InChIInChI=1S/C13H9F3N2O4S/c14-7-4-5-8(15)11(6-7)23(20,21)18-9-2-1-3-10(12(9)16)22-13(17)19/h1-6,18H,(H2,17,19)
InChIKeyXMWABAMLQGQVQS-UHFFFAOYSA-N
XLogP2.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
CID 174728578
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide
CID 125467787
N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide
CID 114294218

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate?
The IUPAC name of [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate (CID 174629530) is [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate.
What is the SMILES notation for [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate?
The canonical SMILES for [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate is NC(=O)Oc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F.
What is the InChIKey of [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate?
The InChIKey is XMWABAMLQGQVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O4S/c14-7-4-5-8(15)11(6-7)23(20,21)18-9-2-1-3-10(12(9)16)22-13(17)19/h1-6,18H,(H2,17,19).
What are the key properties of [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate?
[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate has a molecular weight of 346.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate is sourced from PubChem (CID 174629530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).