3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide

C20H27N3O2S — CID 112502665

IUPAC3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCN(c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-11-22-12-14-23(15-13-22)19-9-7-18(8-10-19)21-26(24,25)20-6-4-5-17(2)16-20/h4-10,16,21H,3,11-15H2,1-2H3
InChIKeyALMDVTPDXDXCKT-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.33
Rot. Bonds6

About 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide

3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 112502665) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID112502665
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCN(c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-11-22-12-14-23(15-13-22)19-9-7-18(8-10-19)21-26(24,25)20-6-4-5-17(2)16-20/h4-10,16,21H,3,11-15H2,1-2H3
InChIKeyALMDVTPDXDXCKT-UHFFFAOYSA-N
XLogP3.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057120
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-methylbenzenesulfonamide
CID 112984261
3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981487
3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide
CID 24877807
N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502661
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide
CID 112502667

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 112502665) is 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide is CCCN1CCN(c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)CC1.
What is the InChIKey of 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is ALMDVTPDXDXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-11-22-12-14-23(15-13-22)19-9-7-18(8-10-19)21-26(24,25)20-6-4-5-17(2)16-20/h4-10,16,21H,3,11-15H2,1-2H3.
What are the key properties of 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide?
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 112502665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).