5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide

C14H16BrFN2O2S2 — CID 55353993

IUPAC5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1
InChIInChI=1S/C14H16BrFN2O2S2/c1-18(2)12(10-4-3-5-11(16)8-10)9-17-22(19,20)14-7-6-13(15)21-14/h3-8,12,17H,9H2,1-2H3
InChIKeyPONZQJLXKHCDRY-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.23
Rot. Bonds6

About 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 55353993) has the molecular formula C14H16BrFN2O2S2 and a molecular weight of 407.33 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID55353993
Molecular FormulaC14H16BrFN2O2S2
Molecular Weight407.33 g/mol
Exact Mass405.98
IUPAC Name5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1
InChIInChI=1S/C14H16BrFN2O2S2/c1-18(2)12(10-4-3-5-11(16)8-10)9-17-22(19,20)14-7-6-13(15)21-14/h3-8,12,17H,9H2,1-2H3
InChIKeyPONZQJLXKHCDRY-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 73168447
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
5-bromo-N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 97104867
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbenzenesulfonamide
CID 39982559
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789
4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 47006082
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 47025184
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 45003249
3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]sulfamoyl]-2-methylbenzoic acid
CID 136531082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 55353993) is 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PONZQJLXKHCDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2S2/c1-18(2)12(10-4-3-5-11(16)8-10)9-17-22(19,20)14-7-6-13(15)21-14/h3-8,12,17H,9H2,1-2H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 407.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55353993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).