5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide

C9H14ClN3O2S2 — CID 1236547

IUPAC5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C9H14ClN3O2S2/c1-12-4-6-13(7-5-12)11-17(14,15)9-3-2-8(10)16-9/h2-3,11H,4-7H2,1H3
InChIKeyGLJYINKBCJAIRN-UHFFFAOYSA-N
MW295.82 g/mol
LogP0.84
Rot. Bonds3

About 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide

5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide (PubChem CID 1236547) has the molecular formula C9H14ClN3O2S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
PubChem CID1236547
Molecular FormulaC9H14ClN3O2S2
Molecular Weight295.82 g/mol
Exact Mass295.02
IUPAC Name5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C9H14ClN3O2S2/c1-12-4-6-13(7-5-12)11-17(14,15)9-3-2-8(10)16-9/h2-3,11H,4-7H2,1H3
InChIKeyGLJYINKBCJAIRN-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide (CID 1236547) is 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide is CN1CCN(NS(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The InChIKey is GLJYINKBCJAIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S2/c1-12-4-6-13(7-5-12)11-17(14,15)9-3-2-8(10)16-9/h2-3,11H,4-7H2,1H3.
What are the key properties of 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide has a molecular weight of 295.82 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 1236547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).