N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

C19H28N4O3S — CID 58561394

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1noc(C)c1NS(=O)(=O)c1ccc(CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N4O3S/c1-15-19(16(2)26-20-15)21-27(24,25)18-8-6-17(7-9-18)5-4-10-23-13-11-22(3)12-14-23/h6-9,21H,4-5,10-14H2,1-3H3
InChIKeyARTFWGDUWSQPBC-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.27
Rot. Bonds7

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 58561394) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID58561394
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1noc(C)c1NS(=O)(=O)c1ccc(CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N4O3S/c1-15-19(16(2)26-20-15)21-27(24,25)18-8-6-17(7-9-18)5-4-10-23-13-11-22(3)12-14-23/h6-9,21H,4-5,10-14H2,1-3H3
InChIKeyARTFWGDUWSQPBC-UHFFFAOYSA-N
XLogP2.27
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 58561394) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is Cc1noc(C)c1NS(=O)(=O)c1ccc(CCCN2CCN(C)CC2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is ARTFWGDUWSQPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-15-19(16(2)26-20-15)21-27(24,25)18-8-6-17(7-9-18)5-4-10-23-13-11-22(3)12-14-23/h6-9,21H,4-5,10-14H2,1-3H3.
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 392.53 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 58561394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).