N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide

C16H27N3O4S2 — CID 47812603

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H27N3O4S2/c1-3-4-15-5-7-16(8-6-15)25(22,23)17-9-10-18-11-13-19(14-12-18)24(2,20)21/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyXGFLKFDOIVTYEK-UHFFFAOYSA-N
MW389.54 g/mol
LogP0.49
Rot. Bonds8

About N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide

N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide (PubChem CID 47812603) has the molecular formula C16H27N3O4S2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide
PubChem CID47812603
Molecular FormulaC16H27N3O4S2
Molecular Weight389.54 g/mol
Exact Mass389.14
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H27N3O4S2/c1-3-4-15-5-7-16(8-6-15)25(22,23)17-9-10-18-11-13-19(14-12-18)24(2,20)21/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyXGFLKFDOIVTYEK-UHFFFAOYSA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 47812632
4-(bromomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 65481400
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62641660
3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]propanoic acid
CID 45425049
4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110316594
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966559
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-propylbenzenesulfonamide
CID 21091955
5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110397622
N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-propylbenzenesulfonamide
CID 47029544
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide (CID 47812603) is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide?
The InChIKey is XGFLKFDOIVTYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S2/c1-3-4-15-5-7-16(8-6-15)25(22,23)17-9-10-18-11-13-19(14-12-18)24(2,20)21/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide?
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide has a molecular weight of 389.54 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 47812603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).