3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide

C16H24N4O6S2 — CID 56563902

IUPAC3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H24N4O6S2/c1-27(22,23)15-12-13(28(17,24)25)2-3-14(15)18-4-6-19(7-5-18)16(21)20-8-10-26-11-9-20/h2-3,12H,4-11H2,1H3,(H2,17,24,25)
InChIKeyIVJHDPACGLSNIY-UHFFFAOYSA-N
MW432.52 g/mol
LogP-0.69
Rot. Bonds3

About 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide

3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 56563902) has the molecular formula C16H24N4O6S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
PubChem CID56563902
Molecular FormulaC16H24N4O6S2
Molecular Weight432.52 g/mol
Exact Mass432.11
IUPAC Name3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H24N4O6S2/c1-27(22,23)15-12-13(28(17,24)25)2-3-14(15)18-4-6-19(7-5-18)16(21)20-8-10-26-11-9-20/h2-3,12H,4-11H2,1H3,(H2,17,24,25)
InChIKeyIVJHDPACGLSNIY-UHFFFAOYSA-N
XLogP-0.69
TPSA130.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-2-bromoethanone
CID 118513757
[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55866133
4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-methylsulfonylbenzenesulfonamide
CID 56578870
3-amino-4-(1,4-oxazepan-4-yl)benzenesulfonamide
CID 62988486
5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
CID 56578618
(4-tert-butylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815045
2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119358812
N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 56578586
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
CID 22109063
1-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-yl]ethanone
CID 3276698
4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-methylsulfonylbenzenesulfonamide
CID 56578839

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide (CID 56563902) is 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide is CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is IVJHDPACGLSNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O6S2/c1-27(22,23)15-12-13(28(17,24)25)2-3-14(15)18-4-6-19(7-5-18)16(21)20-8-10-26-11-9-20/h2-3,12H,4-11H2,1H3,(H2,17,24,25).
What are the key properties of 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide?
3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 432.52 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 56563902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).