N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide

C12H10BrF2NO2S2 — CID 9302486

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)s1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H10BrF2NO2S2/c1-16(7-8-5-6-11(13)19-8)20(17,18)12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3
InChIKeySBFMDKPEPNTTOK-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.61
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide

N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide (PubChem CID 9302486) has the molecular formula C12H10BrF2NO2S2 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide
PubChem CID9302486
Molecular FormulaC12H10BrF2NO2S2
Molecular Weight382.25 g/mol
Exact Mass380.93
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)s1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H10BrF2NO2S2/c1-16(7-8-5-6-11(13)19-8)20(17,18)12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3
InChIKeySBFMDKPEPNTTOK-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.61
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]-2,6-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide (CID 9302486) is N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(Br)s1)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide?
The InChIKey is SBFMDKPEPNTTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO2S2/c1-16(7-8-5-6-11(13)19-8)20(17,18)12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide?
N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide has a molecular weight of 382.25 g/mol, XLogP of 3.61, 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]-2,6-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 9302486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).