2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide

C20H16ClN3O3S2 — CID 2157656

IUPAC2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1nccs1
InChIInChI=1S/C20H16ClN3O3S2/c21-15-7-5-14(6-8-15)11-24-12-18(16-3-1-2-4-17(16)24)29(26,27)13-19(25)23-20-22-9-10-28-20/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyLZKQBQITARXVSW-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.21
Rot. Bonds6

About 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2157656) has the molecular formula C20H16ClN3O3S2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2157656
Molecular FormulaC20H16ClN3O3S2
Molecular Weight445.95 g/mol
Exact Mass445.03
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1nccs1
InChIInChI=1S/C20H16ClN3O3S2/c21-15-7-5-14(6-8-15)11-24-12-18(16-3-1-2-4-17(16)24)29(26,27)13-19(25)23-20-22-9-10-28-20/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyLZKQBQITARXVSW-UHFFFAOYSA-N
XLogP4.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide (CID 2157656) is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1nccs1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LZKQBQITARXVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S2/c21-15-7-5-14(6-8-15)11-24-12-18(16-3-1-2-4-17(16)24)29(26,27)13-19(25)23-20-22-9-10-28-20/h1-10,12H,11,13H2,(H,22,23,25).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 445.95 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2157656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).