(2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate

C8H7ClFNO4S — CID 116799167

IUPAC(2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate
SMILESCc1ccc(F)c(OC(=O)NS(=O)(=O)Cl)c1
InChIInChI=1S/C8H7ClFNO4S/c1-5-2-3-6(10)7(4-5)15-8(12)11-16(9,13)14/h2-4H,1H3,(H,11,12)
InChIKeyVZUWVRZVCDCEAC-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.71
Rot. Bonds2

About (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate

(2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate (PubChem CID 116799167) has the molecular formula C8H7ClFNO4S and a molecular weight of 267.67 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate
PubChem CID116799167
Molecular FormulaC8H7ClFNO4S
Molecular Weight267.67 g/mol
Exact Mass266.98
IUPAC Name(2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate
SMILESCc1ccc(F)c(OC(=O)NS(=O)(=O)Cl)c1
InChIInChI=1S/C8H7ClFNO4S/c1-5-2-3-6(10)7(4-5)15-8(12)11-16(9,13)14/h2-4H,1H3,(H,11,12)
InChIKeyVZUWVRZVCDCEAC-UHFFFAOYSA-N
XLogP1.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methylphenyl) N-chlorosulfonylcarbamate
CID 116799170
(5-bromo-2,3-difluorophenyl) N-chlorosulfonylcarbamate
CID 107103008
(2,5-difluorophenyl) N-ethylcarbamate
CID 127549988
(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate
CID 86254069
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
ethyl (Z)-3-(2-fluoro-5-methylphenoxy)but-2-enoate
CID 66894663
(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
CID 82283722
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid
CID 64854484
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
chloromethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 164652670
2-acetyloxy-4-methylbenzenesulfonic acid
CID 19387707

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate?
The IUPAC name of (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate (CID 116799167) is (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate.
What is the SMILES notation for (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate?
The canonical SMILES for (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate is Cc1ccc(F)c(OC(=O)NS(=O)(=O)Cl)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate?
The InChIKey is VZUWVRZVCDCEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO4S/c1-5-2-3-6(10)7(4-5)15-8(12)11-16(9,13)14/h2-4H,1H3,(H,11,12).
What are the key properties of (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate?
(2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate has a molecular weight of 267.67 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl) N-chlorosulfonylcarbamate is sourced from PubChem (CID 116799167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).