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

C11H9Cl3N2O2S2 — CID 106057742

IUPAC4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C11H9Cl3N2O2S2/c12-7-2-9(14)10(3-8(7)13)16-20(17,18)11-1-6(4-15)5-19-11/h1-3,5,16H,4,15H2
InChIKeyFWZLPCLGRKYMFS-UHFFFAOYSA-N
MW371.70 g/mol
LogP3.97
Rot. Bonds4

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

4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide (PubChem CID 106057742) has the molecular formula C11H9Cl3N2O2S2 and a molecular weight of 371.70 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
PubChem CID106057742
Molecular FormulaC11H9Cl3N2O2S2
Molecular Weight371.70 g/mol
Exact Mass369.92
IUPAC Name4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C11H9Cl3N2O2S2/c12-7-2-9(14)10(3-8(7)13)16-20(17,18)11-1-6(4-15)5-19-11/h1-3,5,16H,4,15H2
InChIKeyFWZLPCLGRKYMFS-UHFFFAOYSA-N
XLogP3.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.70
LogP ≤ 53.97
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

4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 106056093
4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
5-(aminomethyl)-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 106057739
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide
CID 106048429
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056729
4-amino-N-(2,5-dichlorophenyl)thiophene-2-sulfonamide
CID 61299181

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide (CID 106057742) is 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The InChIKey is FWZLPCLGRKYMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O2S2/c12-7-2-9(14)10(3-8(7)13)16-20(17,18)11-1-6(4-15)5-19-11/h1-3,5,16H,4,15H2.
What are the key properties of 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide has a molecular weight of 371.70 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106057742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).