4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C13H17N3O2S2 — CID 28715935

IUPAC4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-3-14-8-11-4-6-12(7-5-11)20(17,18)16-13-15-10(2)9-19-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyLGGKZZCNZSPMTI-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.36
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 28715935) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID28715935
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-3-14-8-11-4-6-12(7-5-11)20(17,18)16-13-15-10(2)9-19-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyLGGKZZCNZSPMTI-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
4-(ethylaminomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60822205
4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 35539083
1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 110756940
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734
N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 60650358
1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 29050516
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 28715935) is 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LGGKZZCNZSPMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-14-8-11-4-6-12(7-5-11)20(17,18)16-13-15-10(2)9-19-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 28715935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).