4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide

C14H23N3O4S2 — CID 2197124

IUPAC4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C14H23N3O4S2/c1-12-5-6-14(13(2)11-12)22(18,19)16-7-9-17(10-8-16)23(20,21)15(3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyWKUCYYXCKHSFJO-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.42
Rot. Bonds4

About 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide

4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 2197124) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID2197124
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC Name4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C14H23N3O4S2/c1-12-5-6-14(13(2)11-12)22(18,19)16-7-9-17(10-8-16)23(20,21)15(3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyWKUCYYXCKHSFJO-UHFFFAOYSA-N
XLogP0.42
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide (CID 2197124) is 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is WKUCYYXCKHSFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-12-5-6-14(13(2)11-12)22(18,19)16-7-9-17(10-8-16)23(20,21)15(3)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide?
4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 2197124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).