2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline

C10H11BrClFN2O2S — CID 103077139

IUPAC2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline
SMILESNc1c(F)c(S(=O)(=O)N2CCCC2)cc(Cl)c1Br
InChIInChI=1S/C10H11BrClFN2O2S/c11-8-6(12)5-7(9(13)10(8)14)18(16,17)15-3-1-2-4-15/h5H,1-4,14H2
InChIKeySGCNVTQYHIGUHZ-UHFFFAOYSA-N
MW357.63 g/mol
LogP2.61
Rot. Bonds2

About 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline

2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline (PubChem CID 103077139) has the molecular formula C10H11BrClFN2O2S and a molecular weight of 357.63 g/mol. Its IUPAC name is 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline
PubChem CID103077139
Molecular FormulaC10H11BrClFN2O2S
Molecular Weight357.63 g/mol
Exact Mass355.94
IUPAC Name2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline
SMILESNc1c(F)c(S(=O)(=O)N2CCCC2)cc(Cl)c1Br
InChIInChI=1S/C10H11BrClFN2O2S/c11-8-6(12)5-7(9(13)10(8)14)18(16,17)15-3-1-2-4-15/h5H,1-4,14H2
InChIKeySGCNVTQYHIGUHZ-UHFFFAOYSA-N
XLogP2.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-6-fluoroaniline
CID 103077464
1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylazetidin-3-ol
CID 107212145
1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 103077595
4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
CID 103077171
2-bromo-3-chloro-6-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 103077465
2-bromo-3-chloro-5-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-6-fluoroaniline
CID 103077581
2-bromo-3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077319
2-bromo-3-chloro-5-(3,3-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077399
4-chloro-2-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 61112827
4-fluoro-3-methyl-5-pyrrolidin-1-ylsulfonylaniline
CID 80646540
3-amino-4-bromo-5-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 103077166
2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline
CID 116529299

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline (CID 103077139) is 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline is Nc1c(F)c(S(=O)(=O)N2CCCC2)cc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is SGCNVTQYHIGUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFN2O2S/c11-8-6(12)5-7(9(13)10(8)14)18(16,17)15-3-1-2-4-15/h5H,1-4,14H2.
What are the key properties of 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline?
2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 357.63 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 103077139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).