1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide

C10H12BrClFNO2S — CID 172570142

IUPAC1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide
SMILESCCC(Cc1cc(Cl)cc(Br)c1F)S(N)(=O)=O
InChIInChI=1S/C10H12BrClFNO2S/c1-2-8(17(14,15)16)4-6-3-7(12)5-9(11)10(6)13/h3,5,8H,2,4H2,1H3,(H2,14,15,16)
InChIKeyLJDIAKGJBXQMBA-UHFFFAOYSA-N
MW344.63 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide

1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide (PubChem CID 172570142) has the molecular formula C10H12BrClFNO2S and a molecular weight of 344.63 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide
PubChem CID172570142
Molecular FormulaC10H12BrClFNO2S
Molecular Weight344.63 g/mol
Exact Mass342.94
IUPAC Name1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide
SMILESCCC(Cc1cc(Cl)cc(Br)c1F)S(N)(=O)=O
InChIInChI=1S/C10H12BrClFNO2S/c1-2-8(17(14,15)16)4-6-3-7(12)5-9(11)10(6)13/h3,5,8H,2,4H2,1H3,(H2,14,15,16)
InChIKeyLJDIAKGJBXQMBA-UHFFFAOYSA-N
XLogP2.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Bromo-2-fluorophenyl)propane-1-sulfonamide
CID 67053493
1-(3-Bromo-2,5-difluorophenyl)propane-1-sulfonamide
CID 176092954
1-(3-Bromo-5-chloro-2-fluorophenyl)cyclopentane-1-sulfonamide
CID 176093010
1-(3-Chloro-4-fluorophenyl)ethane-1-sulfonamide
CID 62084385
1-(3-Bromo-4-fluorophenyl)ethane-1-sulfonamide
CID 62084917
1-(5-Bromo-2-fluorophenyl)ethane-1-sulfonamide
CID 82973860
1-(4-Bromo-3-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 108394958
1-(5-Bromo-2-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 108394960
1-(3-Bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827663
1-(2-Bromo-5-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827673
1-(4-Bromo-2-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827677
1-(2-Bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827698

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide?
The IUPAC name of 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide (CID 172570142) is 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide?
The canonical SMILES for 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide is CCC(Cc1cc(Cl)cc(Br)c1F)S(N)(=O)=O.
What is the InChIKey of 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide?
The InChIKey is LJDIAKGJBXQMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClFNO2S/c1-2-8(17(14,15)16)4-6-3-7(12)5-9(11)10(6)13/h3,5,8H,2,4H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide?
1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide has a molecular weight of 344.63 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide is sourced from PubChem (CID 172570142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).