1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide

C21H29N3O2S — CID 112502667

IUPAC1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide
SMILESCCCN1CCN(c2ccc(NS(=O)(=O)Cc3ccccc3C)cc2)CC1
InChIInChI=1S/C21H29N3O2S/c1-3-12-23-13-15-24(16-14-23)21-10-8-20(9-11-21)22-27(25,26)17-19-7-5-4-6-18(19)2/h4-11,22H,3,12-17H2,1-2H3
InChIKeyJGWAHECXFNPOJL-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.47
Rot. Bonds7

About 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide

1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide (PubChem CID 112502667) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide
PubChem CID112502667
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide
SMILESCCCN1CCN(c2ccc(NS(=O)(=O)Cc3ccccc3C)cc2)CC1
InChIInChI=1S/C21H29N3O2S/c1-3-12-23-13-15-24(16-14-23)21-10-8-20(9-11-21)22-27(25,26)17-19-7-5-4-6-18(19)2/h4-11,22H,3,12-17H2,1-2H3
InChIKeyJGWAHECXFNPOJL-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.47
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

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 29344500
1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
CID 110726362
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112502665
1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide
CID 110362407
N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502661
N-benzyl-4-(4-propylpiperazin-1-yl)aniline
CID 112721259
2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide
CID 110296986
N-(2-phenylethyl)-4-(4-propylpiperazin-1-yl)aniline
CID 112721256
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide (CID 112502667) is 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide is CCCN1CCN(c2ccc(NS(=O)(=O)Cc3ccccc3C)cc2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide?
The InChIKey is JGWAHECXFNPOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-3-12-23-13-15-24(16-14-23)21-10-8-20(9-11-21)22-27(25,26)17-19-7-5-4-6-18(19)2/h4-11,22H,3,12-17H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide?
1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 112502667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).