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

C13H15FN2O4S2 — CID 86839309

IUPAC2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCc2cnc(C)s2)cc1OC
InChIInChI=1S/C13H15FN2O4S2/c1-8-15-6-9(21-8)7-16-22(17,18)13-5-12(20-3)11(19-2)4-10(13)14/h4-6,16H,7H2,1-3H3
InChIKeyIMEXPDFDIVFFAV-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.09
Rot. Bonds6

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

2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 86839309) has the molecular formula C13H15FN2O4S2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID86839309
Molecular FormulaC13H15FN2O4S2
Molecular Weight346.41 g/mol
Exact Mass346.05
IUPAC Name2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCc2cnc(C)s2)cc1OC
InChIInChI=1S/C13H15FN2O4S2/c1-8-15-6-9(21-8)7-16-22(17,18)13-5-12(20-3)11(19-2)4-10(13)14/h4-6,16H,7H2,1-3H3
InChIKeyIMEXPDFDIVFFAV-UHFFFAOYSA-N
XLogP2.09
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839315
2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 86839289
3-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280992
2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 154739438
N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 61384794
4-fluoro-5-methoxy-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 63597658
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
5-chloro-3-(hydroxymethyl)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 82879925
3-bromo-4-[(2-methyl-1,3-thiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61281998
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61282376
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
3-amino-2-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 62956542

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 86839309) is 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is COc1cc(F)c(S(=O)(=O)NCc2cnc(C)s2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is IMEXPDFDIVFFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4S2/c1-8-15-6-9(21-8)7-16-22(17,18)13-5-12(20-3)11(19-2)4-10(13)14/h4-6,16H,7H2,1-3H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 86839309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).