2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide

C13H14BrClN2O2S2 — CID 106058681

IUPAC2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2ccccc2Cl)c(Br)s1
InChIInChI=1S/C13H14BrClN2O2S2/c1-16-8-10-6-12(13(14)20-10)21(18,19)17-7-9-4-2-3-5-11(9)15/h2-6,16-17H,7-8H2,1H3
InChIKeyMDNHQASXWKVJIG-UHFFFAOYSA-N
MW409.76 g/mol
LogP3.36
Rot. Bonds6

About 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide

2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106058681) has the molecular formula C13H14BrClN2O2S2 and a molecular weight of 409.76 g/mol. Its IUPAC name is 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106058681
Molecular FormulaC13H14BrClN2O2S2
Molecular Weight409.76 g/mol
Exact Mass407.94
IUPAC Name2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2ccccc2Cl)c(Br)s1
InChIInChI=1S/C13H14BrClN2O2S2/c1-16-8-10-6-12(13(14)20-10)21(18,19)17-7-9-4-2-3-5-11(9)15/h2-6,16-17H,7-8H2,1H3
InChIKeyMDNHQASXWKVJIG-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
2-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106062831
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086828
2-bromo-5-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106106635
2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050876
2-bromo-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085272
2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054649
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
5-(aminomethyl)-2-bromo-N-[2-(2-methylphenyl)ethyl]thiophene-3-sulfonamide
CID 106070776

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106058681) is 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCc2ccccc2Cl)c(Br)s1.
What is the InChIKey of 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is MDNHQASXWKVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2S2/c1-16-8-10-6-12(13(14)20-10)21(18,19)17-7-9-4-2-3-5-11(9)15/h2-6,16-17H,7-8H2,1H3.
What are the key properties of 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 409.76 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106058681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).