2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C21H22FNO5S2 — CID 35305554

IUPAC2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C21H22FNO5S2/c1-26-18-9-5-4-7-15(18)13-23(14-16-8-6-10-29-16)30(24,25)21-12-20(28-3)19(27-2)11-17(21)22/h4-12H,13-14H2,1-3H3
InChIKeyYQRJWKBHFQJUJT-UHFFFAOYSA-N
MW451.54 g/mol
LogP4.30
Rot. Bonds9

About 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 35305554) has the molecular formula C21H22FNO5S2 and a molecular weight of 451.54 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID35305554
Molecular FormulaC21H22FNO5S2
Molecular Weight451.54 g/mol
Exact Mass451.09
IUPAC Name2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C21H22FNO5S2/c1-26-18-9-5-4-7-15(18)13-23(14-16-8-6-10-29-16)30(24,25)21-12-20(28-3)19(27-2)11-17(21)22/h4-12H,13-14H2,1-3H3
InChIKeyYQRJWKBHFQJUJT-UHFFFAOYSA-N
XLogP4.30
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 55332989
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31481947
5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 26943739
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 112811372
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 79179449
2-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102920582
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 35305554) is 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is YQRJWKBHFQJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO5S2/c1-26-18-9-5-4-7-15(18)13-23(14-16-8-6-10-29-16)30(24,25)21-12-20(28-3)19(27-2)11-17(21)22/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 451.54 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 35305554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).