3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide

C20H17FN2O4S — CID 169419474

IUPAC3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide
SMILESCc1cc(O)ccc1-c1cc(F)cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C20H17FN2O4S/c1-12-7-17(24)5-6-19(12)13-8-14(10-15(21)9-13)20(25)23-16-3-2-4-18(11-16)28(22,26)27/h2-11,24H,1H3,(H,23,25)(H2,22,26,27)
InChIKeyHTTYNIXMUQMSLW-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.41
Rot. Bonds4

About 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide

3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 169419474) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide
PubChem CID169419474
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide
SMILESCc1cc(O)ccc1-c1cc(F)cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C20H17FN2O4S/c1-12-7-17(24)5-6-19(12)13-8-14(10-15(21)9-13)20(25)23-16-3-2-4-18(11-16)28(22,26)27/h2-11,24H,1H3,(H,23,25)(H2,22,26,27)
InChIKeyHTTYNIXMUQMSLW-UHFFFAOYSA-N
XLogP3.41
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 175329442
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 4155198

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide (CID 169419474) is 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide is Cc1cc(O)ccc1-c1cc(F)cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is HTTYNIXMUQMSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c1-12-7-17(24)5-6-19(12)13-8-14(10-15(21)9-13)20(25)23-16-3-2-4-18(11-16)28(22,26)27/h2-11,24H,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide?
3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 400.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-hydroxy-2-methylphenyl)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 169419474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).