4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide

C15H15BrFNO2S — CID 103697221

IUPAC4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H15BrFNO2S/c1-11(12-6-4-3-5-7-12)18(2)21(19,20)13-8-9-14(16)15(17)10-13/h3-11H,1-2H3
InChIKeyDKLNACUUBHTDGU-UHFFFAOYSA-N
MW372.26 g/mol
LogP3.97
Rot. Bonds4

About 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide

4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 103697221) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID103697221
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC Name4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H15BrFNO2S/c1-11(12-6-4-3-5-7-12)18(2)21(19,20)13-8-9-14(16)15(17)10-13/h3-11H,1-2H3
InChIKeyDKLNACUUBHTDGU-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
4-bromo-N-(1-cyanopropan-2-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 71997631
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8819167
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide (CID 103697221) is 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide is CC(c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is DKLNACUUBHTDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-11(12-6-4-3-5-7-12)18(2)21(19,20)13-8-9-14(16)15(17)10-13/h3-11H,1-2H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 372.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 103697221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).