N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide

C14H23N3O4S2 — CID 110819072

IUPACN,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
SMILESCc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C14H23N3O4S2/c1-13-4-6-14(7-5-13)12-22(18,19)16-8-10-17(11-9-16)23(20,21)15(2)3/h4-7H,8-12H2,1-3H3
InChIKeyAVCOIBYYPKBDRQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.25
Rot. Bonds5

About N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide (PubChem CID 110819072) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
PubChem CID110819072
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC NameN,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
SMILESCc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C14H23N3O4S2/c1-13-4-6-14(7-5-13)12-22(18,19)16-8-10-17(11-9-16)23(20,21)15(2)3/h4-7H,8-12H2,1-3H3
InChIKeyAVCOIBYYPKBDRQ-UHFFFAOYSA-N
XLogP0.25
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylphenyl)methylsulfonyl]-1,4-thiazinane 1,1-dioxide
CID 110721477
N,N-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819070
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methylphenyl)methylsulfonyl]piperazine
CID 110363964
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
2-methyl-5-[2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 110395826
4-[(4-methylphenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
CID 110811156
(3,4-dimethylphenyl)-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365094
4-[(4-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637841
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805309
N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
CID 32501840
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmethyl]benzoate
CID 28635499

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide (CID 110819072) is N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide is Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide?
The InChIKey is AVCOIBYYPKBDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-13-4-6-14(7-5-13)12-22(18,19)16-8-10-17(11-9-16)23(20,21)15(2)3/h4-7H,8-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 110819072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).