N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

C13H14BrFN2O2S2 — CID 106089648

IUPACN-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C13H14BrFN2O2S2/c1-2-16-8-11-12(6-7-20-11)21(18,19)17-13-9(14)4-3-5-10(13)15/h3-7,16-17H,2,8H2,1H3
InChIKeyDFFBUNIXRFVEEI-UHFFFAOYSA-N
MW393.30 g/mol
LogP3.56
Rot. Bonds6

About N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106089648) has the molecular formula C13H14BrFN2O2S2 and a molecular weight of 393.30 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
PubChem CID106089648
Molecular FormulaC13H14BrFN2O2S2
Molecular Weight393.30 g/mol
Exact Mass391.97
IUPAC NameN-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C13H14BrFN2O2S2/c1-2-16-8-11-12(6-7-20-11)21(18,19)17-13-9(14)4-3-5-10(13)15/h3-7,16-17H,2,8H2,1H3
InChIKeyDFFBUNIXRFVEEI-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

N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
CID 106056142
N-(5-bromo-6-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106070393
N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106070832
N-(2-bromo-6-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089680
N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide
CID 107603188
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106087421
N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106061210
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (CID 106089648) is N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)Nc1c(F)cccc1Br.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is DFFBUNIXRFVEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2S2/c1-2-16-8-11-12(6-7-20-11)21(18,19)17-13-9(14)4-3-5-10(13)15/h3-7,16-17H,2,8H2,1H3.
What are the key properties of N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-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-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106089648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).