N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide

C13H14BrFN2O2S2 — CID 106067102

IUPACN-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C13H14BrFN2O2S2/c1-2-16-7-9-5-13(20-8-9)21(18,19)17-10-3-4-11(14)12(15)6-10/h3-6,8,16-17H,2,7H2,1H3
InChIKeyWLFSRCQDVMNYOE-UHFFFAOYSA-N
MW393.30 g/mol
LogP3.56
Rot. Bonds6

About N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide

N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106067102) has the molecular formula C13H14BrFN2O2S2 and a molecular weight of 393.30 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106067102
Molecular FormulaC13H14BrFN2O2S2
Molecular Weight393.30 g/mol
Exact Mass391.97
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C13H14BrFN2O2S2/c1-2-16-7-9-5-13(20-8-9)21(18,19)17-10-3-4-11(14)12(15)6-10/h3-6,8,16-17H,2,7H2,1H3
InChIKeyWLFSRCQDVMNYOE-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 106070490
4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 106018431
N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 106056783
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106067102) is N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is WLFSRCQDVMNYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2S2/c1-2-16-7-9-5-13(20-8-9)21(18,19)17-10-3-4-11(14)12(15)6-10/h3-6,8,16-17H,2,7H2,1H3.
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide?
N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 393.30 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106067102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).