N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide

C17H21N3O5S3 — CID 2161272

IUPACN,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H21N3O5S3/c1-18(2)27(22,23)15-7-5-14(6-8-15)17(21)19-9-11-20(12-10-19)28(24,25)16-4-3-13-26-16/h3-8,13H,9-12H2,1-2H3
InChIKeyAPYWYJIFEUWSQY-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.15
Rot. Bonds5

About N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide

N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 2161272) has the molecular formula C17H21N3O5S3 and a molecular weight of 443.57 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID2161272
Molecular FormulaC17H21N3O5S3
Molecular Weight443.57 g/mol
Exact Mass443.06
IUPAC NameN,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H21N3O5S3/c1-18(2)27(22,23)15-7-5-14(6-8-15)17(21)19-9-11-20(12-10-19)28(24,25)16-4-3-13-26-16/h3-8,13H,9-12H2,1-2H3
InChIKeyAPYWYJIFEUWSQY-UHFFFAOYSA-N
XLogP1.15
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide (CID 2161272) is N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is APYWYJIFEUWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S3/c1-18(2)27(22,23)15-7-5-14(6-8-15)17(21)19-9-11-20(12-10-19)28(24,25)16-4-3-13-26-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide?
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2161272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).