N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide

C16H17BrFNO2S — CID 154714916

IUPACN-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(C)F)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrFNO2S/c1-12-3-9-16(10-4-12)22(20,21)19(11-13(2)18)15-7-5-14(17)6-8-15/h3-10,13H,11H2,1-2H3
InChIKeyQXEDJNAIZGRDBL-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.31
Rot. Bonds5

About N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide

N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide (PubChem CID 154714916) has the molecular formula C16H17BrFNO2S and a molecular weight of 386.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide
PubChem CID154714916
Molecular FormulaC16H17BrFNO2S
Molecular Weight386.29 g/mol
Exact Mass385.01
IUPAC NameN-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(C)F)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrFNO2S/c1-12-3-9-16(10-4-12)22(20,21)19(11-13(2)18)15-7-5-14(17)6-8-15/h3-10,13H,11H2,1-2H3
InChIKeyQXEDJNAIZGRDBL-UHFFFAOYSA-N
XLogP4.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)acetate
CID 50889812
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
4-(4-bromo-N-(4-methylphenyl)sulfonylanilino)butanoic acid
CID 50890687
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
N-(4-bromophenyl)-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 94850901
N-[(2S)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propoxy]phenoxy]propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 99674364
(2R)-2-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-bromophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 125098716
2-[(4-bromophenyl)methyl-[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-ethylpropanamide
CID 132633194
N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
CID 71945528
(2R)-2-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 125050103
2-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-bromophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133146185
N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 3125892

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide (CID 154714916) is N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(C)F)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide?
The InChIKey is QXEDJNAIZGRDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2S/c1-12-3-9-16(10-4-12)22(20,21)19(11-13(2)18)15-7-5-14(17)6-8-15/h3-10,13H,11H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide?
N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide has a molecular weight of 386.29 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(2-fluoropropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 154714916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).