4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide

C21H25N3O5S — CID 24818088

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1
InChIInChI=1S/C21H25N3O5S/c1-3-29-19-8-6-18(7-9-19)22-30(27,28)20-10-4-17(5-11-20)21(26)24-14-12-23(13-15-24)16(2)25/h4-11,22H,3,12-15H2,1-2H3
InChIKeyQURWVQRVWKZKSU-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.19
Rot. Bonds6

About 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide

4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 24818088) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID24818088
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1
InChIInChI=1S/C21H25N3O5S/c1-3-29-19-8-6-18(7-9-19)22-30(27,28)20-10-4-17(5-11-20)21(26)24-14-12-23(13-15-24)16(2)25/h4-11,22H,3,12-15H2,1-2H3
InChIKeyQURWVQRVWKZKSU-UHFFFAOYSA-N
XLogP2.19
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide (CID 24818088) is 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is QURWVQRVWKZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-3-29-19-8-6-18(7-9-19)22-30(27,28)20-10-4-17(5-11-20)21(26)24-14-12-23(13-15-24)16(2)25/h4-11,22H,3,12-15H2,1-2H3.
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 431.51 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 24818088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).