N-(2,5-dimethylphenyl)piperidine-3-sulfonamide

C13H20N2O2S — CID 24699757

IUPACN-(2,5-dimethylphenyl)piperidine-3-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)C2CCCNC2)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-11(2)13(8-10)15-18(16,17)12-4-3-7-14-9-12/h5-6,8,12,14-15H,3-4,7,9H2,1-2H3
InChIKeyNBDSFUHXJRNASB-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.80
Rot. Bonds3

About N-(2,5-dimethylphenyl)piperidine-3-sulfonamide

N-(2,5-dimethylphenyl)piperidine-3-sulfonamide (PubChem CID 24699757) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)piperidine-3-sulfonamide
PubChem CID24699757
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2,5-dimethylphenyl)piperidine-3-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)C2CCCNC2)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-11(2)13(8-10)15-18(16,17)12-4-3-7-14-9-12/h5-6,8,12,14-15H,3-4,7,9H2,1-2H3
InChIKeyNBDSFUHXJRNASB-UHFFFAOYSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
CID 65419614
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
N-(2-bromophenyl)piperidine-3-sulfonamide
CID 54974199
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(2-chlorophenyl)piperidine-3-sulfonamide
CID 54973700
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
CID 81280209
N-(2-methoxyphenyl)piperidine-3-sulfonamide
CID 24690815
N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-sulfonamide
CID 24710203
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038
N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
CID 115606541
N-(3-bromo-2,4-difluorophenyl)piperidine-3-sulfonamide
CID 155193788

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)piperidine-3-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)piperidine-3-sulfonamide (CID 24699757) is N-(2,5-dimethylphenyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)piperidine-3-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)C2CCCNC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)piperidine-3-sulfonamide?
The InChIKey is NBDSFUHXJRNASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-6-11(2)13(8-10)15-18(16,17)12-4-3-7-14-9-12/h5-6,8,12,14-15H,3-4,7,9H2,1-2H3.
What are the key properties of N-(2,5-dimethylphenyl)piperidine-3-sulfonamide?
N-(2,5-dimethylphenyl)piperidine-3-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)piperidine-3-sulfonamide is sourced from PubChem (CID 24699757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).