N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide

C15H15BrFNO2S — CID 107640872

IUPACN-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cc1
InChIInChI=1S/C15H15BrFNO2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-10-12(17)6-9-14(15)16/h4-10,18H,2-3H2,1H3
InChIKeyJZTRRWRWBOBOSP-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.34
Rot. Bonds5

About N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide

N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide (PubChem CID 107640872) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
PubChem CID107640872
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cc1
InChIInChI=1S/C15H15BrFNO2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-10-12(17)6-9-14(15)16/h4-10,18H,2-3H2,1H3
InChIKeyJZTRRWRWBOBOSP-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
CID 3568453
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
CID 113255256
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
CID 9241775

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide (CID 107640872) is N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cc1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide?
The InChIKey is JZTRRWRWBOBOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-2-3-11-4-7-13(8-5-11)21(19,20)18-15-10-12(17)6-9-14(15)16/h4-10,18H,2-3H2,1H3.
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide?
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide has a molecular weight of 372.26 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 107640872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).