[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C19H22ClN3O6S3 — CID 2470315

IUPAC[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C19H22ClN3O6S3/c20-17-5-6-18(30-17)32(27,28)22-9-7-21(8-10-22)19(24)15-1-3-16(4-2-15)31(25,26)23-11-13-29-14-12-23/h1-6H,7-14H2
InChIKeyQYTIXSPGOWTBBS-UHFFFAOYSA-N
MW520.05 g/mol
LogP1.57
Rot. Bonds5

About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 2470315) has the molecular formula C19H22ClN3O6S3 and a molecular weight of 520.05 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID2470315
Molecular FormulaC19H22ClN3O6S3
Molecular Weight520.05 g/mol
Exact Mass519.04
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C19H22ClN3O6S3/c20-17-5-6-18(30-17)32(27,28)22-9-7-21(8-10-22)19(24)15-1-3-16(4-2-15)31(25,26)23-11-13-29-14-12-23/h1-6H,7-14H2
InChIKeyQYTIXSPGOWTBBS-UHFFFAOYSA-N
XLogP1.57
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.05
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2525856
(3-Morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
(2-Methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2577950
CID 6603385
CID 6603385
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 16299307
1-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 24818090
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 25161661
[9-[(4-Chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone
CID 52946249
4-[4-(5-Chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164623372
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 16292089

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 2470315) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is QYTIXSPGOWTBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O6S3/c20-17-5-6-18(30-17)32(27,28)22-9-7-21(8-10-22)19(24)15-1-3-16(4-2-15)31(25,26)23-11-13-29-14-12-23/h1-6H,7-14H2.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 520.05 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 2470315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).