4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide

C25H35N3O3S — CID 57219862

IUPAC4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(C(c2ccc(S(=O)(=O)N(C)C)cc2)c2cccc(O)c2)C(C)CN1CC1CC1
InChIInChI=1S/C25H35N3O3S/c1-18-16-28(19(2)15-27(18)17-20-8-9-20)25(22-6-5-7-23(29)14-22)21-10-12-24(13-11-21)32(30,31)26(3)4/h5-7,10-14,18-20,25,29H,8-9,15-17H2,1-4H3
InChIKeyIZBCFVZAULUHHC-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.54
Rot. Bonds7

About 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide

4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 57219862) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID57219862
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC Name4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(C(c2ccc(S(=O)(=O)N(C)C)cc2)c2cccc(O)c2)C(C)CN1CC1CC1
InChIInChI=1S/C25H35N3O3S/c1-18-16-28(19(2)15-27(18)17-20-8-9-20)25(22-6-5-7-23(29)14-22)21-10-12-24(13-11-21)32(30,31)26(3)4/h5-7,10-14,18-20,25,29H,8-9,15-17H2,1-4H3
InChIKeyIZBCFVZAULUHHC-UHFFFAOYSA-N
XLogP3.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide (CID 57219862) is 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide is CC1CN(C(c2ccc(S(=O)(=O)N(C)C)cc2)c2cccc(O)c2)C(C)CN1CC1CC1.
What is the InChIKey of 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is IZBCFVZAULUHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-18-16-28(19(2)15-27(18)17-20-8-9-20)25(22-6-5-7-23(29)14-22)21-10-12-24(13-11-21)32(30,31)26(3)4/h5-7,10-14,18-20,25,29H,8-9,15-17H2,1-4H3.
What are the key properties of 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide?
4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 457.64 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 57219862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).