4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C11H13N3O2S2 — CID 63824323

IUPAC4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2cscn2)cc1
InChIInChI=1S/C11H13N3O2S2/c12-5-9-1-3-11(4-2-9)18(15,16)14-6-10-7-17-8-13-10/h1-4,7-8,14H,5-6,12H2
InChIKeyVCISAAYLCUWRPQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.08
Rot. Bonds5

About 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 63824323) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID63824323
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2cscn2)cc1
InChIInChI=1S/C11H13N3O2S2/c12-5-9-1-3-11(4-2-9)18(15,16)14-6-10-7-17-8-13-10/h1-4,7-8,14H,5-6,12H2
InChIKeyVCISAAYLCUWRPQ-UHFFFAOYSA-N
XLogP1.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyanomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 79195968
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824191
4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 113288438
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 49458352
3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 82847839
4-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 55012270
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 102920800
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 63824323) is 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)NCc2cscn2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is VCISAAYLCUWRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c12-5-9-1-3-11(4-2-9)18(15,16)14-6-10-7-17-8-13-10/h1-4,7-8,14H,5-6,12H2.
What are the key properties of 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63824323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).