2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide

C9H14Cl2N2O2S2 — CID 2805382

IUPAC2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H14Cl2N2O2S2/c1-13(2)5-3-4-12-17(14,15)7-6-8(10)16-9(7)11/h6,12H,3-5H2,1-2H3
InChIKeyGQPBKYNZOZKIAC-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.28
Rot. Bonds6

About 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide

2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide (PubChem CID 2805382) has the molecular formula C9H14Cl2N2O2S2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide
PubChem CID2805382
Molecular FormulaC9H14Cl2N2O2S2
Molecular Weight317.26 g/mol
Exact Mass315.99
IUPAC Name2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H14Cl2N2O2S2/c1-13(2)5-3-4-12-17(14,15)7-6-8(10)16-9(7)11/h6,12H,3-5H2,1-2H3
InChIKeyGQPBKYNZOZKIAC-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.28
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 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide (CID 2805382) is 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide is CN(C)CCCNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide?
The InChIKey is GQPBKYNZOZKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N2O2S2/c1-13(2)5-3-4-12-17(14,15)7-6-8(10)16-9(7)11/h6,12H,3-5H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide has a molecular weight of 317.26 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 2805382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).