5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide

C15H19ClN4O2S2 — CID 113026023

IUPAC5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)CC1
InChIInChI=1S/C15H19ClN4O2S2/c1-2-19-7-9-20(10-8-19)12-3-5-14(17-11-12)18-24(21,22)15-6-4-13(16)23-15/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyRQUILBPIMHPCOW-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.74
Rot. Bonds5

About 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide

5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113026023) has the molecular formula C15H19ClN4O2S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113026023
Molecular FormulaC15H19ClN4O2S2
Molecular Weight386.93 g/mol
Exact Mass386.06
IUPAC Name5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)CC1
InChIInChI=1S/C15H19ClN4O2S2/c1-2-19-7-9-20(10-8-19)12-3-5-14(17-11-12)18-24(21,22)15-6-4-13(16)23-15/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyRQUILBPIMHPCOW-UHFFFAOYSA-N
XLogP2.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113025912
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113025338
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
4-ethyl-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026011
5-chloro-N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030748
5-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113024663
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029334
5-chloro-N-(5-phenyl-2-pyridinyl)thiophene-2-sulfonamide
CID 110634676
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030864
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (CID 113026023) is 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)CC1.
What is the InChIKey of 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is RQUILBPIMHPCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S2/c1-2-19-7-9-20(10-8-19)12-3-5-14(17-11-12)18-24(21,22)15-6-4-13(16)23-15/h3-6,11H,2,7-10H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 386.93 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113026023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).