N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

C13H14Br2N2O2S2 — CID 106007249

IUPACN-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C13H14Br2N2O2S2/c1-2-16-8-12-13(5-6-20-12)21(18,19)17-11-7-9(14)3-4-10(11)15/h3-7,16-17H,2,8H2,1H3
InChIKeyAGJDYFQHFAINAO-UHFFFAOYSA-N
MW454.21 g/mol
LogP4.18
Rot. Bonds6

About N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106007249) has the molecular formula C13H14Br2N2O2S2 and a molecular weight of 454.21 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
PubChem CID106007249
Molecular FormulaC13H14Br2N2O2S2
Molecular Weight454.21 g/mol
Exact Mass451.89
IUPAC NameN-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C13H14Br2N2O2S2/c1-2-16-8-12-13(5-6-20-12)21(18,19)17-11-7-9(14)3-4-10(11)15/h3-7,16-17H,2,8H2,1H3
InChIKeyAGJDYFQHFAINAO-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.21
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106070393
N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106089648
N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106070832
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106087421
N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 107425265
N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106061210
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
CID 106056142
N-(2,5-dibromophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106007060
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (CID 106007249) is N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is AGJDYFQHFAINAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2S2/c1-2-16-8-12-13(5-6-20-12)21(18,19)17-11-7-9(14)3-4-10(11)15/h3-7,16-17H,2,8H2,1H3.
What are the key properties of N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 454.21 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106007249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).