4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide

C26H28ClN5O3S2 — CID 24825366

IUPAC4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C26H28ClN5O3S2/c1-35-20-10-8-19(9-11-20)25-22(29-26(30-25)24-7-4-18-36-24)12-13-28-37(33,34)32-16-14-31(15-17-32)23-6-3-2-5-21(23)27/h2-11,18,28H,12-17H2,1H3,(H,29,30)
InChIKeyVDHKOWSRLQHFMY-UHFFFAOYSA-N
MW558.13 g/mol
LogP4.67
Rot. Bonds9

About 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide

4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (PubChem CID 24825366) has the molecular formula C26H28ClN5O3S2 and a molecular weight of 558.13 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
PubChem CID24825366
Molecular FormulaC26H28ClN5O3S2
Molecular Weight558.13 g/mol
Exact Mass557.13
IUPAC Name4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C26H28ClN5O3S2/c1-35-20-10-8-19(9-11-20)25-22(29-26(30-25)24-7-4-18-36-24)12-13-28-37(33,34)32-16-14-31(15-17-32)23-6-3-2-5-21(23)27/h2-11,18,28H,12-17H2,1H3,(H,29,30)
InChIKeyVDHKOWSRLQHFMY-UHFFFAOYSA-N
XLogP4.67
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.13
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide (CID 24825366) is 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
The InChIKey is VDHKOWSRLQHFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3S2/c1-35-20-10-8-19(9-11-20)25-22(29-26(30-25)24-7-4-18-36-24)12-13-28-37(33,34)32-16-14-31(15-17-32)23-6-3-2-5-21(23)27/h2-11,18,28H,12-17H2,1H3,(H,29,30).
What are the key properties of 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide?
4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide has a molecular weight of 558.13 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 24825366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).