N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide

C16H17BrFNO2S — CID 3568453

IUPACN-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C16H17BrFNO2S/c1-2-3-4-12-5-8-14(9-6-12)22(20,21)19-13-7-10-15(17)16(18)11-13/h5-11,19H,2-4H2,1H3
InChIKeyXOEDYJRKHCJPKT-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.73
Rot. Bonds6

About N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide

N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide (PubChem CID 3568453) has the molecular formula C16H17BrFNO2S and a molecular weight of 386.29 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
PubChem CID3568453
Molecular FormulaC16H17BrFNO2S
Molecular Weight386.29 g/mol
Exact Mass385.01
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C16H17BrFNO2S/c1-2-3-4-12-5-8-14(9-6-12)22(20,21)19-13-7-10-15(17)16(18)11-13/h5-11,19H,2-4H2,1H3
InChIKeyXOEDYJRKHCJPKT-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
N-[3,5-bis(trifluoromethyl)phenyl]-4-butylbenzenesulfonamide
CID 22775272
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
CID 65436899
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-anthracen-2-yl-4-pentylbenzenesulfonamide
CID 3844846
5-bromo-N-(4-butylphenyl)pyridine-3-sulfonamide
CID 63422557
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide (CID 3568453) is N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide?
The InChIKey is XOEDYJRKHCJPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2S/c1-2-3-4-12-5-8-14(9-6-12)22(20,21)19-13-7-10-15(17)16(18)11-13/h5-11,19H,2-4H2,1H3.
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide?
N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide has a molecular weight of 386.29 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide is sourced from PubChem (CID 3568453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).