N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide

C11H15BrClFN2O2S — CID 106087690

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H15BrClFN2O2S/c1-15-4-2-3-5-19(17,18)16-11-9(12)6-8(14)7-10(11)13/h6-7,15-16H,2-5H2,1H3
InChIKeyYOFOMNIJFOHXKW-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.98
Rot. Bonds7

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106087690) has the molecular formula C11H15BrClFN2O2S and a molecular weight of 373.68 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106087690
Molecular FormulaC11H15BrClFN2O2S
Molecular Weight373.68 g/mol
Exact Mass371.97
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H15BrClFN2O2S/c1-15-4-2-3-5-19(17,18)16-11-9(12)6-8(14)7-10(11)13/h6-7,15-16H,2-5H2,1H3
InChIKeyYOFOMNIJFOHXKW-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide (CID 106087690) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is YOFOMNIJFOHXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClFN2O2S/c1-15-4-2-3-5-19(17,18)16-11-9(12)6-8(14)7-10(11)13/h6-7,15-16H,2-5H2,1H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 373.68 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106087690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).