5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide

C15H19ClN2O2S2 — CID 16890848

IUPAC5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc(CCCNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H19ClN2O2S2/c1-18(2)13-7-5-12(6-8-13)4-3-11-17-22(19,20)15-10-9-14(16)21-15/h5-10,17H,3-4,11H2,1-2H3
InChIKeyGSMHDBWWPVWIQW-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.38
Rot. Bonds7

About 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide

5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide (PubChem CID 16890848) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide
PubChem CID16890848
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC Name5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc(CCCNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H19ClN2O2S2/c1-18(2)13-7-5-12(6-8-13)4-3-11-17-22(19,20)15-10-9-14(16)21-15/h5-10,17H,3-4,11H2,1-2H3
InChIKeyGSMHDBWWPVWIQW-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide (CID 16890848) is 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide is CN(C)c1ccc(CCCNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide?
The InChIKey is GSMHDBWWPVWIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-18(2)13-7-5-12(6-8-13)4-3-11-17-22(19,20)15-10-9-14(16)21-15/h5-10,17H,3-4,11H2,1-2H3.
What are the key properties of 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide?
5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide has a molecular weight of 358.92 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16890848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).