5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide

C19H21FN2O4S — CID 55659551

IUPAC5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC1CCOC1
InChIInChI=1S/C19H21FN2O4S/c1-13-2-7-17(27(24,25)22-16-5-3-15(20)4-6-16)10-18(13)19(23)21-11-14-8-9-26-12-14/h2-7,10,14,22H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyGIBYIMROLOTJBJ-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.70
Rot. Bonds6

About 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 55659551) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID55659551
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC1CCOC1
InChIInChI=1S/C19H21FN2O4S/c1-13-2-7-17(27(24,25)22-16-5-3-15(20)4-6-16)10-18(13)19(23)21-11-14-8-9-26-12-14/h2-7,10,14,22H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyGIBYIMROLOTJBJ-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43021327
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate
CID 46798952
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418
2,4-dimethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65398563

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 55659551) is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC1CCOC1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is GIBYIMROLOTJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13-2-7-17(27(24,25)22-16-5-3-15(20)4-6-16)10-18(13)19(23)21-11-14-8-9-26-12-14/h2-7,10,14,22H,8-9,11-12H2,1H3,(H,21,23).
What are the key properties of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide?
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 392.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 55659551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).