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

C11H10Cl2N2O2S2 — CID 106059491

IUPAC2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
SMILESNCc1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2S2/c12-8-2-1-7(5-9(8)13)15-19(16,17)11-3-4-18-10(11)6-14/h1-5,15H,6,14H2
InChIKeyFWGZMJULNQHZKO-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.31
Rot. Bonds4

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

2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide (PubChem CID 106059491) has the molecular formula C11H10Cl2N2O2S2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
PubChem CID106059491
Molecular FormulaC11H10Cl2N2O2S2
Molecular Weight337.25 g/mol
Exact Mass335.96
IUPAC Name2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
SMILESNCc1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2S2/c12-8-2-1-7(5-9(8)13)15-19(16,17)11-3-4-18-10(11)6-14/h1-5,15H,6,14H2
InChIKeyFWGZMJULNQHZKO-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 106059474
2-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 106057279
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
CID 106030355
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106082978
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023220
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106019045
2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
CID 106056025
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide (CID 106059491) is 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide is NCc1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide?
The InChIKey is FWGZMJULNQHZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S2/c12-8-2-1-7(5-9(8)13)15-19(16,17)11-3-4-18-10(11)6-14/h1-5,15H,6,14H2.
What are the key properties of 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide has a molecular weight of 337.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106059491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).