N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide

C14H21N3O2S2 — CID 3529995

IUPACN,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC2=NCC(C)S2)c1
InChIInChI=1S/C14H21N3O2S2/c1-4-17(5-2)21(18,19)13-8-6-7-12(9-13)16-14-15-10-11(3)20-14/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyPUAYGPJYKVHDRE-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.62
Rot. Bonds5

About N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide

N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 3529995) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID3529995
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC NameN,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC2=NCC(C)S2)c1
InChIInChI=1S/C14H21N3O2S2/c1-4-17(5-2)21(18,19)13-8-6-7-12(9-13)16-14-15-10-11(3)20-14/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyPUAYGPJYKVHDRE-UHFFFAOYSA-N
XLogP2.62
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 7062731
3-(bromomethylsulfonylamino)-N,N-diethylbenzenesulfonamide
CID 83084844
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385642
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324
1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 16590699
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide
CID 62856650
(3S)-N-[3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7760069

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 3529995) is N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(NC2=NCC(C)S2)c1.
What is the InChIKey of N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is PUAYGPJYKVHDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-4-17(5-2)21(18,19)13-8-6-7-12(9-13)16-14-15-10-11(3)20-14/h6-9,11H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide?
N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 327.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 3529995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).