4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide

C18H27N3O5S2 — CID 1433329

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
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
MW429.56 g/mol
LogP1.15
Rot. Bonds5

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide (PubChem CID 1433329) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide
PubChem CID1433329
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
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
XLogP1.15
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide (CID 1433329) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide?
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-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide has a molecular weight of 429.56 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 1433329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).