4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide

C18H27N3O5S2 — CID 1433329

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide
SMILESCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3
InChIInChI=1S/C18H27N3O5S2/c1-15(22)20-11-13-21(14-12-20)28(25,26)18-9-7-17(8-10-18)27(23,24)19-16-5-3-2-4-6-16/h7-10,16,19H,2-6,11-14H2,1H3
InChIKeySAMAFUKAXCHFTH-UHFFFAOYSA-N
MW429.60 g/mol
LogP1.10
Rot. Bonds5

About 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide

4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide (PubChem CID 1433329) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.60 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
PubChem CID1433329
Molecular FormulaC18H27N3O5S2
Molecular Weight429.60 g/mol
Exact Mass429.14
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide
SMILESCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3
InChIInChI=1S/C18H27N3O5S2/c1-15(22)20-11-13-21(14-12-20)28(25,26)18-9-7-17(8-10-18)27(23,24)19-16-5-3-2-4-6-16/h7-10,16,19H,2-6,11-14H2,1H3
InChIKeySAMAFUKAXCHFTH-UHFFFAOYSA-N
XLogP1.10
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity735

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.60
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide?
The IUPAC name of 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide (CID 1433329) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide?
The canonical SMILES for 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide is CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3.
What is the InChIKey of 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide?
The InChIKey is SAMAFUKAXCHFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-15(22)20-11-13-21(14-12-20)28(25,26)18-9-7-17(8-10-18)27(23,24)19-16-5-3-2-4-6-16/h7-10,16,19H,2-6,11-14H2,1H3.
What are the key properties of 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide?
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide has a molecular weight of 429.60 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide is sourced from PubChem (CID 1433329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).