N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide

C9H8BrClFNO2S — CID 105400004

IUPACN-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H8BrClFNO2S/c1-6(10)5-13-16(14,15)9-4-7(12)2-3-8(9)11/h2-4,13H,1,5H2
InChIKeyJRCJAQMBPXPQFM-UHFFFAOYSA-N
MW328.59 g/mol
LogP2.67
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide

N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105400004) has the molecular formula C9H8BrClFNO2S and a molecular weight of 328.59 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105400004
Molecular FormulaC9H8BrClFNO2S
Molecular Weight328.59 g/mol
Exact Mass326.91
IUPAC NameN-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H8BrClFNO2S/c1-6(10)5-13-16(14,15)9-4-7(12)2-3-8(9)11/h2-4,13H,1,5H2
InChIKeyJRCJAQMBPXPQFM-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018
N-(2-bromoprop-2-enyl)-2-chloro-5-nitrobenzenesulfonamide
CID 113465015
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
CID 105400574
2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 115610703
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 115610877
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107849069
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386170

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105400004) is N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide is C=C(Br)CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is JRCJAQMBPXPQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFNO2S/c1-6(10)5-13-16(14,15)9-4-7(12)2-3-8(9)11/h2-4,13H,1,5H2.
What are the key properties of N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 328.59 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).