6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide

C20H26N4O5S3 — CID 43015435

IUPAC6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H26N4O5S3/c1-16(30-19-10-9-18(15-21-19)31(26,27)22(2)3)20(25)23-11-13-24(14-12-23)32(28,29)17-7-5-4-6-8-17/h4-10,15-16H,11-14H2,1-3H3
InChIKeyAQPAWFGPJNSEPA-UHFFFAOYSA-N
MW498.65 g/mol
LogP1.35
Rot. Bonds7

About 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide

6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 43015435) has the molecular formula C20H26N4O5S3 and a molecular weight of 498.65 g/mol. Its IUPAC name is 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
PubChem CID43015435
Molecular FormulaC20H26N4O5S3
Molecular Weight498.65 g/mol
Exact Mass498.11
IUPAC Name6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H26N4O5S3/c1-16(30-19-10-9-18(15-21-19)31(26,27)22(2)3)20(25)23-11-13-24(14-12-23)32(28,29)17-7-5-4-6-8-17/h4-10,15-16H,11-14H2,1-3H3
InChIKeyAQPAWFGPJNSEPA-UHFFFAOYSA-N
XLogP1.35
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propan-1-one
CID 22109709
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
(2R)-N-methyl-N-phenyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 25343806
N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide
CID 18092252
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41088397
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 45352159
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-bromopropan-1-one
CID 107903486
N-[(2-chlorophenyl)methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 45351660
4-[(2R)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 27965568
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
CID 38967801

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide (CID 43015435) is 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide is CC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is AQPAWFGPJNSEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S3/c1-16(30-19-10-9-18(15-21-19)31(26,27)22(2)3)20(25)23-11-13-24(14-12-23)32(28,29)17-7-5-4-6-8-17/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 498.65 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 43015435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).