N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide

C11H13BrFNO4S2 — CID 62085486

IUPACN-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)cc2Br)CC1
InChIInChI=1S/C11H13BrFNO4S2/c12-10-7-8(13)1-2-11(10)14-20(17,18)9-3-5-19(15,16)6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyGYLDNQLYAYULHH-UHFFFAOYSA-N
MW386.26 g/mol
LogP1.91
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide

N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 62085486) has the molecular formula C11H13BrFNO4S2 and a molecular weight of 386.26 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID62085486
Molecular FormulaC11H13BrFNO4S2
Molecular Weight386.26 g/mol
Exact Mass384.95
IUPAC NameN-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)cc2Br)CC1
InChIInChI=1S/C11H13BrFNO4S2/c12-10-7-8(13)1-2-11(10)14-20(17,18)9-3-5-19(15,16)6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyGYLDNQLYAYULHH-UHFFFAOYSA-N
XLogP1.91
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62084935
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(3-bromo-2-hydroxyphenyl)-1,1-dioxothiane-4-sulfonamide
CID 81496023
N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
CID 107626850
N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide
CID 55033017
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103098191
3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
CID 114447917
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
CID 82014016
N-(2-bromo-4-chlorophenyl)piperidine-4-sulfonamide
CID 81280206
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide (CID 62085486) is N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)cc2Br)CC1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is GYLDNQLYAYULHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO4S2/c12-10-7-8(13)1-2-11(10)14-20(17,18)9-3-5-19(15,16)6-4-9/h1-2,7,9,14H,3-6H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide?
N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 386.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62085486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).