N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

C12H12Cl2N2O2S2 — CID 106059497

IUPACN-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-15-7-11-12(4-5-19-11)20(17,18)16-8-2-3-9(13)10(14)6-8/h2-6,15-16H,7H2,1H3
InChIKeyBPVJSUJCMPNXRY-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.58
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106059497) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106059497
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC NameN-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-15-7-11-12(4-5-19-11)20(17,18)16-8-2-3-9(13)10(14)6-8/h2-6,15-16H,7H2,1H3
InChIKeyBPVJSUJCMPNXRY-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
CID 106059491
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067026
N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085927
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 114142231
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106059497) is N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is BPVJSUJCMPNXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-15-7-11-12(4-5-19-11)20(17,18)16-8-2-3-9(13)10(14)6-8/h2-6,15-16H,7H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106059497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).