N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide

C10H8BrClF3NO2S — CID 113465018

IUPACN-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H8BrClF3NO2S/c1-6(11)5-16-19(17,18)9-4-7(10(13,14)15)2-3-8(9)12/h2-4,16H,1,5H2
InChIKeyMNTFQOXSOPOBSF-UHFFFAOYSA-N
MW378.60 g/mol
LogP3.55
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide

N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 113465018) has the molecular formula C10H8BrClF3NO2S and a molecular weight of 378.60 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID113465018
Molecular FormulaC10H8BrClF3NO2S
Molecular Weight378.60 g/mol
Exact Mass376.91
IUPAC NameN-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H8BrClF3NO2S/c1-6(11)5-16-19(17,18)9-4-7(10(13,14)15)2-3-8(9)12/h2-4,16H,1,5H2
InChIKeyMNTFQOXSOPOBSF-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400004
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
N-(2-bromoprop-2-enyl)-2-chloro-5-nitrobenzenesulfonamide
CID 113465015
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 86989290
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 2097178
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43240869
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 64557595
tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 4984455
1-tert-butyl-3-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylurea
CID 90007957
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide (CID 113465018) is N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide is C=C(Br)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MNTFQOXSOPOBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO2S/c1-6(11)5-16-19(17,18)9-4-7(10(13,14)15)2-3-8(9)12/h2-4,16H,1,5H2.
What are the key properties of N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 378.60 g/mol, XLogP of 3.55, 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 113465018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).