N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide

C14H12BrF2NO3S2 — CID 24617984

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H12BrF2NO3S2/c15-12-6-3-10(22-12)7-8-18-13(19)9-1-4-11(5-2-9)23(20,21)14(16)17/h1-6,14H,7-8H2,(H,18,19)
InChIKeySTLOSULAJTZNFJ-UHFFFAOYSA-N
MW424.29 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide

N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide (PubChem CID 24617984) has the molecular formula C14H12BrF2NO3S2 and a molecular weight of 424.29 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide
PubChem CID24617984
Molecular FormulaC14H12BrF2NO3S2
Molecular Weight424.29 g/mol
Exact Mass422.94
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H12BrF2NO3S2/c15-12-6-3-10(22-12)7-8-18-13(19)9-1-4-11(5-2-9)23(20,21)14(16)17/h1-6,14H,7-8H2,(H,18,19)
InChIKeySTLOSULAJTZNFJ-UHFFFAOYSA-N
XLogP3.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide (CID 24617984) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide is O=C(NCCc1ccc(Br)s1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is STLOSULAJTZNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO3S2/c15-12-6-3-10(22-12)7-8-18-13(19)9-1-4-11(5-2-9)23(20,21)14(16)17/h1-6,14H,7-8H2,(H,18,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 424.29 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 24617984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).