N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C12H12BrClN2O2S2 — CID 106070895

IUPACN-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)cs1
InChIInChI=1S/C12H12BrClN2O2S2/c1-15-6-9-5-10(7-19-9)20(17,18)16-8-2-3-12(14)11(13)4-8/h2-5,7,15-16H,6H2,1H3
InChIKeyISJKEUSCISCUGJ-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.68
Rot. Bonds5

About N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106070895) has the molecular formula C12H12BrClN2O2S2 and a molecular weight of 395.73 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106070895
Molecular FormulaC12H12BrClN2O2S2
Molecular Weight395.73 g/mol
Exact Mass393.92
IUPAC NameN-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)cs1
InChIInChI=1S/C12H12BrClN2O2S2/c1-15-6-9-5-10(7-19-9)20(17,18)16-8-2-3-12(14)11(13)4-8/h2-5,7,15-16H,6H2,1H3
InChIKeyISJKEUSCISCUGJ-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264
N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106070960

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106070895) is N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)cs1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is ISJKEUSCISCUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2S2/c1-15-6-9-5-10(7-19-9)20(17,18)16-8-2-3-12(14)11(13)4-8/h2-5,7,15-16H,6H2,1H3.
What are the key properties of N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 395.73 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106070895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).