4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide

C14H16ClN3O3S2 — CID 53255350

IUPAC4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(Oc2cccc(N3CCNCC3)c2)s1
InChIInChI=1S/C14H16ClN3O3S2/c15-12-9-13(23(16,19)20)22-14(12)21-11-3-1-2-10(8-11)18-6-4-17-5-7-18/h1-3,8-9,17H,4-7H2,(H2,16,19,20)
InChIKeyNMVRNTDIYHLLGU-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.25
Rot. Bonds4

About 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide

4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide (PubChem CID 53255350) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
PubChem CID53255350
Molecular FormulaC14H16ClN3O3S2
Molecular Weight373.89 g/mol
Exact Mass373.03
IUPAC Name4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(Oc2cccc(N3CCNCC3)c2)s1
InChIInChI=1S/C14H16ClN3O3S2/c15-12-9-13(23(16,19)20)22-14(12)21-11-3-1-2-10(8-11)18-6-4-17-5-7-18/h1-3,8-9,17H,4-7H2,(H2,16,19,20)
InChIKeyNMVRNTDIYHLLGU-UHFFFAOYSA-N
XLogP2.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The IUPAC name of 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide (CID 53255350) is 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide.
What is the SMILES notation for 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The canonical SMILES for 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide is NS(=O)(=O)c1cc(Cl)c(Oc2cccc(N3CCNCC3)c2)s1.
What is the InChIKey of 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The InChIKey is NMVRNTDIYHLLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c15-12-9-13(23(16,19)20)22-14(12)21-11-3-1-2-10(8-11)18-6-4-17-5-7-18/h1-3,8-9,17H,4-7H2,(H2,16,19,20).
What are the key properties of 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide has a molecular weight of 373.89 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 53255350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).