5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide

C11H14ClN3O2S2 — CID 56684506

IUPAC5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1nccn1CCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O2S2/c1-9-13-6-8-15(9)7-2-5-14-19(16,17)11-4-3-10(12)18-11/h3-4,6,8,14H,2,5,7H2,1H3
InChIKeyBLYIMCCHCUGGBL-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.28
Rot. Bonds6

About 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide

5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 56684506) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID56684506
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC Name5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1nccn1CCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O2S2/c1-9-13-6-8-15(9)7-2-5-14-19(16,17)11-4-3-10(12)18-11/h3-4,6,8,14H,2,5,7H2,1H3
InChIKeyBLYIMCCHCUGGBL-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide (CID 56684506) is 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide is Cc1nccn1CCCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is BLYIMCCHCUGGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S2/c1-9-13-6-8-15(9)7-2-5-14-19(16,17)11-4-3-10(12)18-11/h3-4,6,8,14H,2,5,7H2,1H3.
What are the key properties of 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 319.84 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 56684506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).