N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide

C10H10BrClFNO2S — CID 105400746

IUPACN-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(CBr)CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10BrClFNO2S/c11-6-10(3-4-10)14-17(15,16)9-5-7(13)1-2-8(9)12/h1-2,5,14H,3-4,6H2
InChIKeyRCZSKWKCVPKGCX-UHFFFAOYSA-N
MW342.62 g/mol
LogP2.68
Rot. Bonds4

About N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide

N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105400746) has the molecular formula C10H10BrClFNO2S and a molecular weight of 342.62 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105400746
Molecular FormulaC10H10BrClFNO2S
Molecular Weight342.62 g/mol
Exact Mass340.93
IUPAC NameN-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(CBr)CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10BrClFNO2S/c11-6-10(3-4-10)14-17(15,16)9-5-7(13)1-2-8(9)12/h1-2,5,14H,3-4,6H2
InChIKeyRCZSKWKCVPKGCX-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 52.68
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-[4-(bromomethyl)oxan-4-yl]-2-chloro-5-fluorobenzenesulfonamide
CID 106301301
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400688
N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114293734
N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-dichlorobenzenesulfonamide
CID 114294026
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293763
2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid
CID 146092673
4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide
CID 116530079
N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400691
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
2-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluorobenzenesulfonamide
CID 105400715
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-chloro-5-fluorobenzenesulfonamide
CID 107868294

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide (CID 105400746) is N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide is O=S(=O)(NC1(CBr)CC1)c1cc(F)ccc1Cl.
What is the InChIKey of N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is RCZSKWKCVPKGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO2S/c11-6-10(3-4-10)14-17(15,16)9-5-7(13)1-2-8(9)12/h1-2,5,14H,3-4,6H2.
What are the key properties of N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide?
N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 342.62 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopropyl]-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).