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

C13H16N2O3S2 — CID 86839315

IUPAC4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cnc(C)s2)cc1C
InChIInChI=1S/C13H16N2O3S2/c1-9-6-12(4-5-13(9)18-3)20(16,17)15-8-11-7-14-10(2)19-11/h4-7,15H,8H2,1-3H3
InChIKeyZSCVHJZORRXCQU-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.25
Rot. Bonds5

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

4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 86839315) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID86839315
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cnc(C)s2)cc1C
InChIInChI=1S/C13H16N2O3S2/c1-9-6-12(4-5-13(9)18-3)20(16,17)15-8-11-7-14-10(2)19-11/h4-7,15H,8H2,1-3H3
InChIKeyZSCVHJZORRXCQU-UHFFFAOYSA-N
XLogP2.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280992
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268
2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839309
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 154739438
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 65245602
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
3-bromo-4-methoxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 103697865
N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 61384794
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 81441299
6-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64601679

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 86839315) is 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cnc(C)s2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is ZSCVHJZORRXCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-9-6-12(4-5-13(9)18-3)20(16,17)15-8-11-7-14-10(2)19-11/h4-7,15H,8H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 86839315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).