N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide

C16H25N3O5S2 — CID 56534024

IUPACN-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H25N3O5S2/c1-3-17-26(23,24)15-6-4-14(5-7-15)16(20)19-10-8-18(9-11-19)12-13-25(2,21)22/h4-7,17H,3,8-13H2,1-2H3
InChIKeyRWUHXVYGLVUGOF-UHFFFAOYSA-N
MW403.53 g/mol
LogP-0.21
Rot. Bonds7

About N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide

N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 56534024) has the molecular formula C16H25N3O5S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID56534024
Molecular FormulaC16H25N3O5S2
Molecular Weight403.53 g/mol
Exact Mass403.12
IUPAC NameN-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H25N3O5S2/c1-3-17-26(23,24)15-6-4-14(5-7-15)16(20)19-10-8-18(9-11-19)12-13-25(2,21)22/h4-7,17H,3,8-13H2,1-2H3
InChIKeyRWUHXVYGLVUGOF-UHFFFAOYSA-N
XLogP-0.21
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
(4-methylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94448657
N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226582
4-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-N-ethylbenzenesulfonamide
CID 55956481
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 79406673
4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-N-ethylbenzenesulfonamide
CID 136581329
[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 72938893
(4-butylphenyl)-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]methanone
CID 134713853
(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753438
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 43393803
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 56534024) is N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is RWUHXVYGLVUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S2/c1-3-17-26(23,24)15-6-4-14(5-7-15)16(20)19-10-8-18(9-11-19)12-13-25(2,21)22/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 403.53 g/mol, XLogP of -0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 56534024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).