N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide

C15H26N2O4S2 — CID 60532350

IUPACN-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C15H26N2O4S2/c1-6-17(7-2)13(4)11-16-23(20,21)15-10-14(22(5,18)19)9-8-12(15)3/h8-10,13,16H,6-7,11H2,1-5H3
InChIKeyHGMVXFIJPUXGPX-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.41
Rot. Bonds8

About N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide

N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 60532350) has the molecular formula C15H26N2O4S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID60532350
Molecular FormulaC15H26N2O4S2
Molecular Weight362.52 g/mol
Exact Mass362.13
IUPAC NameN-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C15H26N2O4S2/c1-6-17(7-2)13(4)11-16-23(20,21)15-10-14(22(5,18)19)9-8-12(15)3/h8-10,13,16H,6-7,11H2,1-5H3
InChIKeyHGMVXFIJPUXGPX-UHFFFAOYSA-N
XLogP1.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate
CID 42960032
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
CID 95341841
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110620380
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide (CID 60532350) is N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide is CCN(CC)C(C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is HGMVXFIJPUXGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S2/c1-6-17(7-2)13(4)11-16-23(20,21)15-10-14(22(5,18)19)9-8-12(15)3/h8-10,13,16H,6-7,11H2,1-5H3.
What are the key properties of N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 362.52 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 60532350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).