N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide

C11H12BrClFNO2S — CID 105400692

IUPACN-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12BrClFNO2S/c12-9(7-1-2-7)6-15-18(16,17)11-5-8(14)3-4-10(11)13/h3-5,7,9,15H,1-2,6H2
InChIKeyBBOJBXIGNDKHFB-UHFFFAOYSA-N
MW356.64 g/mol
LogP2.93
Rot. Bonds5

About N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide

N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105400692) has the molecular formula C11H12BrClFNO2S and a molecular weight of 356.64 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105400692
Molecular FormulaC11H12BrClFNO2S
Molecular Weight356.64 g/mol
Exact Mass354.94
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12BrClFNO2S/c12-9(7-1-2-7)6-15-18(16,17)11-5-8(14)3-4-10(11)13/h3-5,7,9,15H,1-2,6H2
InChIKeyBBOJBXIGNDKHFB-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-2-cyclopropylethyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113271162
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
CID 105400660
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
CID 114294646
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
N-[(3-bromocyclohexyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 106135863
N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400004

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105400692) is N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide is O=S(=O)(NCC(Br)C1CC1)c1cc(F)ccc1Cl.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is BBOJBXIGNDKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO2S/c12-9(7-1-2-7)6-15-18(16,17)11-5-8(14)3-4-10(11)13/h3-5,7,9,15H,1-2,6H2.
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 356.64 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).