N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide

C13H13BrFNO2S2 — CID 32677153

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(Br)s1)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H13BrFNO2S2/c1-16(8-12-6-7-13(14)19-12)20(17,18)9-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3
InChIKeyFWZNHZYETACOEK-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.61
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide

N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide (PubChem CID 32677153) has the molecular formula C13H13BrFNO2S2 and a molecular weight of 378.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide
PubChem CID32677153
Molecular FormulaC13H13BrFNO2S2
Molecular Weight378.29 g/mol
Exact Mass376.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(Br)s1)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H13BrFNO2S2/c1-16(8-12-6-7-13(14)19-12)20(17,18)9-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3
InChIKeyFWZNHZYETACOEK-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
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]-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide (CID 32677153) is N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide is CN(Cc1ccc(Br)s1)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The InChIKey is FWZNHZYETACOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO2S2/c1-16(8-12-6-7-13(14)19-12)20(17,18)9-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanesulfonamide has a molecular weight of 378.29 g/mol, XLogP of 3.61, 5 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]-1-(4-fluorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 32677153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).