N-(2,4-dimethylphenyl)piperidine-1-sulfonamide

C13H20N2O2S — CID 2988699

IUPACN-(2,4-dimethylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C13H20N2O2S/c1-11-6-7-13(12(2)10-11)14-18(16,17)15-8-4-3-5-9-15/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyFQXYHEGHECDUCK-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.45
Rot. Bonds3

About N-(2,4-dimethylphenyl)piperidine-1-sulfonamide

N-(2,4-dimethylphenyl)piperidine-1-sulfonamide (PubChem CID 2988699) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)piperidine-1-sulfonamide
PubChem CID2988699
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2,4-dimethylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C13H20N2O2S/c1-11-6-7-13(12(2)10-11)14-18(16,17)15-8-4-3-5-9-15/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyFQXYHEGHECDUCK-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 738302
1-(2,4-Dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine
CID 701237
methylaminosulfotoluidide (IX)
CID 25044572
4-[(2-Methylpiperidin-1-yl)methyl]aniline
CID 3159023
4-((4-Methylpiperazin-1-yl)methyl)aniline
CID 3153996
4-(Piperidin-1-ylmethyl)aniline
CID 846150
4-[(4-Methylpiperidin-1-yl)methyl]aniline
CID 1084995
4-[(4-Ethylpiperazin-1-yl)methyl]aniline
CID 1084996
Mls002638339
CID 224941
N-(4-methylphenyl)morpholine-4-sulfonamide
CID 2979005
4-(2-Ethyl-piperidin-1-ylmethyl)-phenylamine
CID 3158971
1-(2,4-Xylyl)piperazine
CID 70544

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)piperidine-1-sulfonamide (CID 2988699) is N-(2,4-dimethylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)piperidine-1-sulfonamide is Cc1ccc(NS(=O)(=O)N2CCCCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)piperidine-1-sulfonamide?
The InChIKey is FQXYHEGHECDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-6-7-13(12(2)10-11)14-18(16,17)15-8-4-3-5-9-15/h6-7,10,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)piperidine-1-sulfonamide?
N-(2,4-dimethylphenyl)piperidine-1-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 2988699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).