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

C14H17ClN4O2S2 — CID 113025912

IUPAC5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)CC1
InChIInChI=1S/C14H17ClN4O2S2/c1-18-6-8-19(9-7-18)11-2-4-13(16-10-11)17-23(20,21)14-5-3-12(15)22-14/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyIVMAQGZLHXVNAY-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.35
Rot. Bonds4

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

5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113025912) has the molecular formula C14H17ClN4O2S2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113025912
Molecular FormulaC14H17ClN4O2S2
Molecular Weight372.90 g/mol
Exact Mass372.05
IUPAC Name5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)CC1
InChIInChI=1S/C14H17ClN4O2S2/c1-18-6-8-19(9-7-18)11-2-4-13(16-10-11)17-23(20,21)14-5-3-12(15)22-14/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyIVMAQGZLHXVNAY-UHFFFAOYSA-N
XLogP2.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (CID 113025912) is 5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is CN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)CC1.
What is the InChIKey of 5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is IVMAQGZLHXVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S2/c1-18-6-8-19(9-7-18)11-2-4-13(16-10-11)17-23(20,21)14-5-3-12(15)22-14/h2-5,10H,6-9H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 372.90 g/mol, XLogP of 2.35, 4 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-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113025912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).