4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide

C22H24ClN3O4S2 — CID 53307989

IUPAC4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(N4CCNCC4)c3)s2)cc1
InChIInChI=1S/C22H24ClN3O4S2/c1-29-18-7-5-16(6-8-18)15-25-32(27,28)21-14-20(23)22(31-21)30-19-4-2-3-17(13-19)26-11-9-24-10-12-26/h2-8,13-14,24-25H,9-12,15H2,1H3
InChIKeyPRSMXWKETDCJLA-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.09
Rot. Bonds8

About 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide

4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide (PubChem CID 53307989) has the molecular formula C22H24ClN3O4S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
PubChem CID53307989
Molecular FormulaC22H24ClN3O4S2
Molecular Weight494.04 g/mol
Exact Mass493.09
IUPAC Name4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(N4CCNCC4)c3)s2)cc1
InChIInChI=1S/C22H24ClN3O4S2/c1-29-18-7-5-16(6-8-18)15-25-32(27,28)21-14-20(23)22(31-21)30-19-4-2-3-17(13-19)26-11-9-24-10-12-26/h2-8,13-14,24-25H,9-12,15H2,1H3
InChIKeyPRSMXWKETDCJLA-UHFFFAOYSA-N
XLogP4.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide (CID 53307989) is 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The canonical SMILES for 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cc(Cl)c(Oc3cccc(N4CCNCC4)c3)s2)cc1.
What is the InChIKey of 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The InChIKey is PRSMXWKETDCJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S2/c1-29-18-7-5-16(6-8-18)15-25-32(27,28)21-14-20(23)22(31-21)30-19-4-2-3-17(13-19)26-11-9-24-10-12-26/h2-8,13-14,24-25H,9-12,15H2,1H3.
What are the key properties of 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide has a molecular weight of 494.04 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methoxyphenyl)methyl]-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 53307989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).