5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide

C11H13ClN2O2S2 — CID 110721121

IUPAC5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1cccc1)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2O2S2/c12-10-4-5-11(17-10)18(15,16)13-6-3-9-14-7-1-2-8-14/h1-2,4-5,7-8,13H,3,6,9H2
InChIKeyXCGFUEDZHKMDAO-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.57
Rot. Bonds6

About 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide

5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 110721121) has the molecular formula C11H13ClN2O2S2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID110721121
Molecular FormulaC11H13ClN2O2S2
Molecular Weight304.82 g/mol
Exact Mass304.01
IUPAC Name5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCn1cccc1)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2O2S2/c12-10-4-5-11(17-10)18(15,16)13-6-3-9-14-7-1-2-8-14/h1-2,4-5,7-8,13H,3,6,9H2
InChIKeyXCGFUEDZHKMDAO-UHFFFAOYSA-N
XLogP2.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.57
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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Related Compounds

5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207528
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide
CID 90500681
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110397622

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide (CID 110721121) is 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCCCn1cccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is XCGFUEDZHKMDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S2/c12-10-4-5-11(17-10)18(15,16)13-6-3-9-14-7-1-2-8-14/h1-2,4-5,7-8,13H,3,6,9H2.
What are the key properties of 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide?
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 304.82 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110721121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).