5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide

C12H12Cl2N2O2S2 — CID 106059520

IUPAC5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)sc1CN
InChIInChI=1S/C12H12Cl2N2O2S2/c1-7-4-12(19-11(7)6-15)20(17,18)16-8-2-3-9(13)10(14)5-8/h2-5,16H,6,15H2,1H3
InChIKeyJRXFMXMETPOTDZ-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.62
Rot. Bonds4

About 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106059520) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
PubChem CID106059520
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC Name5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)sc1CN
InChIInChI=1S/C12H12Cl2N2O2S2/c1-7-4-12(19-11(7)6-15)20(17,18)16-8-2-3-9(13)10(14)5-8/h2-5,16H,6,15H2,1H3
InChIKeyJRXFMXMETPOTDZ-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
5-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106076647
5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106059973
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 106074625
2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
CID 106059491
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106070845
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106076817
5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 106059474

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide (CID 106059520) is 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is JRXFMXMETPOTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-7-4-12(19-11(7)6-15)20(17,18)16-8-2-3-9(13)10(14)5-8/h2-5,16H,6,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106059520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).