4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide

C19H23FN2O4S — CID 2079757

IUPAC4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1F
InChIInChI=1S/C19H23FN2O4S/c1-13(2)10-11-21-19(23)14-8-9-15(20)18(12-14)27(24,25)22-16-6-4-5-7-17(16)26-3/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyLCDJJENYZPCYIO-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.41
Rot. Bonds8

About 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide

4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide (PubChem CID 2079757) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
PubChem CID2079757
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1F
InChIInChI=1S/C19H23FN2O4S/c1-13(2)10-11-21-19(23)14-8-9-15(20)18(12-14)27(24,25)22-16-6-4-5-7-17(16)26-3/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyLCDJJENYZPCYIO-UHFFFAOYSA-N
XLogP3.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
Sulfonamide-01
CID 11532283
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2397168
5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2431964
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 2472408
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4830546

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide (CID 2079757) is 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1F.
What is the InChIKey of 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The InChIKey is LCDJJENYZPCYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-13(2)10-11-21-19(23)14-8-9-15(20)18(12-14)27(24,25)22-16-6-4-5-7-17(16)26-3/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 2079757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).