N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide

C14H13BrFNO2S — CID 100502316

IUPACN-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO2S/c1-2-17(13-5-3-4-11(15)10-13)20(18,19)14-8-6-12(16)7-9-14/h3-10H,2H2,1H3
InChIKeyBHQNYFXRQNIPAZ-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.80
Rot. Bonds4

About N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide

N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 100502316) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID100502316
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC NameN-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO2S/c1-2-17(13-5-3-4-11(15)10-13)20(18,19)14-8-6-12(16)7-9-14/h3-10H,2H2,1H3
InChIKeyBHQNYFXRQNIPAZ-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
methyl 2-(3-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890869
N-(3-bromophenyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 46021891
N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123900424
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784
N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 167747926
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223865
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 126030529
2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride
CID 50890911
2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 7308169
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide (CID 100502316) is N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide is CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is BHQNYFXRQNIPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-2-17(13-5-3-4-11(15)10-13)20(18,19)14-8-6-12(16)7-9-14/h3-10H,2H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide?
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 100502316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).