2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride

C11H12FNO3S — CID 116814067

IUPAC2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)C1CCC1
InChIInChI=1S/C11H12FNO3S/c12-17(15,16)10-7-2-1-6-9(10)13-11(14)8-4-3-5-8/h1-2,6-8H,3-5H2,(H,13,14)
InChIKeyAPTOYEVCCHPCIE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.08
Rot. Bonds3

About 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride

2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride (PubChem CID 116814067) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride
PubChem CID116814067
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)C1CCC1
InChIInChI=1S/C11H12FNO3S/c12-17(15,16)10-7-2-1-6-9(10)13-11(14)8-4-3-5-8/h1-2,6-8H,3-5H2,(H,13,14)
InChIKeyAPTOYEVCCHPCIE-UHFFFAOYSA-N
XLogP2.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760614
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 81118453
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride?
The IUPAC name of 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride (CID 116814067) is 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride?
The canonical SMILES for 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride is O=C(Nc1ccccc1S(=O)(=O)F)C1CCC1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride?
The InChIKey is APTOYEVCCHPCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c12-17(15,16)10-7-2-1-6-9(10)13-11(14)8-4-3-5-8/h1-2,6-8H,3-5H2,(H,13,14).
What are the key properties of 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride?
2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride has a molecular weight of 257.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride is sourced from PubChem (CID 116814067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).