4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

C11H15BrFNO3S — CID 116528424

IUPAC4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO3S/c1-8(7-17-3)14(2)18(15,16)11-5-4-9(12)6-10(11)13/h4-6,8H,7H2,1-3H3
InChIKeyAGNCIAKCPGHFNF-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.24
Rot. Bonds5

About 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 116528424) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID116528424
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC Name4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO3S/c1-8(7-17-3)14(2)18(15,16)11-5-4-9(12)6-10(11)13/h4-6,8H,7H2,1-3H3
InChIKeyAGNCIAKCPGHFNF-UHFFFAOYSA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-butan-2-yl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 116528510
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
4-bromo-2-fluoro-N,N-di(propan-2-yl)benzenesulfonamide
CID 97455770
3-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxybutanimidamide
CID 116529743
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511
4-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 75509763
4-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 116527769
4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 116527699
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
2-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 116528263
2-bromo-N-ethyl-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060177
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (CID 116528424) is 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is COCC(C)N(C)S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is AGNCIAKCPGHFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-8(7-17-3)14(2)18(15,16)11-5-4-9(12)6-10(11)13/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 116528424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).