N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide

C15H23N3O5S2 — CID 32501840

IUPACN,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23N3O5S2/c1-16(2)25(22,23)18-10-8-17(9-11-18)15(19)14-6-4-13(5-7-14)12-24(3,20)21/h4-7H,8-12H2,1-3H3
InChIKeyHYXMWQKJQLWPTL-UHFFFAOYSA-N
MW389.50 g/mol
LogP-0.20
Rot. Bonds5

About N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide (PubChem CID 32501840) has the molecular formula C15H23N3O5S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
PubChem CID32501840
Molecular FormulaC15H23N3O5S2
Molecular Weight389.50 g/mol
Exact Mass389.11
IUPAC NameN,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23N3O5S2/c1-16(2)25(22,23)18-10-8-17(9-11-18)15(19)14-6-4-13(5-7-14)12-24(3,20)21/h4-7H,8-12H2,1-3H3
InChIKeyHYXMWQKJQLWPTL-UHFFFAOYSA-N
XLogP-0.20
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 108568463
[4-(methylsulfonylmethyl)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 112790428
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
CID 110810347
(3,4-dihydroxypyrrolidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 106671289
4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 108570154
N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
CID 32503634
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 86832859
[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39580416
4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32503491
(4-benzylpiperazin-4-ium-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 8713455
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 27660858
4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32504642

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide (CID 32501840) is N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide?
The InChIKey is HYXMWQKJQLWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S2/c1-16(2)25(22,23)18-10-8-17(9-11-18)15(19)14-6-4-13(5-7-14)12-24(3,20)21/h4-7H,8-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of -0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 32501840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).