N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide

C14H24N2O2S — CID 112502252

IUPACN-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H24N2O2S/c1-5-16(6-2)13(4)11-15-19(17,18)14-10-8-7-9-12(14)3/h7-10,13,15H,5-6,11H2,1-4H3
InChIKeyLRVDVUPNNAZVDM-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide

N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide (PubChem CID 112502252) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
PubChem CID112502252
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C14H24N2O2S/c1-5-16(6-2)13(4)11-15-19(17,18)14-10-8-7-9-12(14)3/h7-10,13,15H,5-6,11H2,1-4H3
InChIKeyLRVDVUPNNAZVDM-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 60532350
methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate
CID 42960032
2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 46457714
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677
N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052766
2-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714903
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 103743769
N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113044074

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide (CID 112502252) is N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide is CCN(CC)C(C)CNS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide?
The InChIKey is LRVDVUPNNAZVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16(6-2)13(4)11-15-19(17,18)14-10-8-7-9-12(14)3/h7-10,13,15H,5-6,11H2,1-4H3.
What are the key properties of N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide?
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 112502252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).