5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide

C16H21ClN2O2S2 — CID 4082152

IUPAC5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc(Cl)s1)c1cccc(C)c1
InChIInChI=1S/C16H21ClN2O2S2/c1-3-19(14-7-4-6-13(2)12-14)11-5-10-18-23(20,21)16-9-8-15(17)22-16/h4,6-9,12,18H,3,5,10-11H2,1-2H3
InChIKeyUOPLXEHXRFHEOL-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.90
Rot. Bonds8

About 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide

5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide (PubChem CID 4082152) has the molecular formula C16H21ClN2O2S2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide
PubChem CID4082152
Molecular FormulaC16H21ClN2O2S2
Molecular Weight372.94 g/mol
Exact Mass372.07
IUPAC Name5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc(Cl)s1)c1cccc(C)c1
InChIInChI=1S/C16H21ClN2O2S2/c1-3-19(14-7-4-6-13(2)12-14)11-5-10-18-23(20,21)16-9-8-15(17)22-16/h4,6-9,12,18H,3,5,10-11H2,1-2H3
InChIKeyUOPLXEHXRFHEOL-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide (CID 4082152) is 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide is CCN(CCCNS(=O)(=O)c1ccc(Cl)s1)c1cccc(C)c1.
What is the InChIKey of 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide?
The InChIKey is UOPLXEHXRFHEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S2/c1-3-19(14-7-4-6-13(2)12-14)11-5-10-18-23(20,21)16-9-8-15(17)22-16/h4,6-9,12,18H,3,5,10-11H2,1-2H3.
What are the key properties of 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide has a molecular weight of 372.94 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(N-ethyl-3-methylanilino)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4082152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).