N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide

C12H11BrFNO2S2 — CID 9302461

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11BrFNO2S2/c1-15(8-10-4-7-12(13)18-10)19(16,17)11-5-2-9(14)3-6-11/h2-7H,8H2,1H3
InChIKeyVNGRMHKDDKHYPG-UHFFFAOYSA-N
MW364.26 g/mol
LogP3.47
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide

N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 9302461) has the molecular formula C12H11BrFNO2S2 and a molecular weight of 364.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID9302461
Molecular FormulaC12H11BrFNO2S2
Molecular Weight364.26 g/mol
Exact Mass362.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11BrFNO2S2/c1-15(8-10-4-7-12(13)18-10)19(16,17)11-5-2-9(14)3-6-11/h2-7H,8H2,1H3
InChIKeyVNGRMHKDDKHYPG-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide (CID 9302461) is N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is VNGRMHKDDKHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2S2/c1-15(8-10-4-7-12(13)18-10)19(16,17)11-5-2-9(14)3-6-11/h2-7H,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 364.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 9302461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).