5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide

C12H11Cl3N2O2S2 — CID 106057731

IUPAC5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)sc1CN
InChIInChI=1S/C12H11Cl3N2O2S2/c1-6-2-12(20-11(6)5-16)21(18,19)17-10-4-8(14)7(13)3-9(10)15/h2-4,17H,5,16H2,1H3
InChIKeyCVPRZHMQZMVTGY-UHFFFAOYSA-N
MW385.73 g/mol
LogP4.28
Rot. Bonds4

About 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide (PubChem CID 106057731) has the molecular formula C12H11Cl3N2O2S2 and a molecular weight of 385.73 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
PubChem CID106057731
Molecular FormulaC12H11Cl3N2O2S2
Molecular Weight385.73 g/mol
Exact Mass383.93
IUPAC Name5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)sc1CN
InChIInChI=1S/C12H11Cl3N2O2S2/c1-6-2-12(20-11(6)5-16)21(18,19)17-10-4-8(14)7(13)3-9(10)15/h2-4,17H,5,16H2,1H3
InChIKeyCVPRZHMQZMVTGY-UHFFFAOYSA-N
XLogP4.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.73
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 106074625
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106071815
2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide
CID 106078990
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
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

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide (CID 106057731) is 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The InChIKey is CVPRZHMQZMVTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O2S2/c1-6-2-12(20-11(6)5-16)21(18,19)17-10-4-8(14)7(13)3-9(10)15/h2-4,17H,5,16H2,1H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide has a molecular weight of 385.73 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106057731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).