N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide

C18H21FN2O6S — CID 58360059

IUPACN-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc(F)c1CO
InChIInChI=1S/C18H21FN2O6S/c1-4-18(23)20-15-9-12(8-14(19)13(15)10-22)28(24,25)21-11-5-6-16(26-2)17(7-11)27-3/h5-9,21-22H,4,10H2,1-3H3,(H,20,23)
InChIKeyXAOOIRSESKMETL-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.48
Rot. Bonds8

About N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide

N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide (PubChem CID 58360059) has the molecular formula C18H21FN2O6S and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide
PubChem CID58360059
Molecular FormulaC18H21FN2O6S
Molecular Weight412.44 g/mol
Exact Mass412.11
IUPAC NameN-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc(F)c1CO
InChIInChI=1S/C18H21FN2O6S/c1-4-18(23)20-15-9-12(8-14(19)13(15)10-22)28(24,25)21-11-5-6-16(26-2)17(7-11)27-3/h5-9,21-22H,4,10H2,1-3H3,(H,20,23)
InChIKeyXAOOIRSESKMETL-UHFFFAOYSA-N
XLogP2.48
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxyphenyl]propanamide
CID 28558028
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893309
N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306
4-[(3,4-difluorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)benzamide
CID 27537974
N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 27211549
methyl 3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-fluorobenzoate
CID 47946553
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245
N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656740
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide (CID 58360059) is N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide is CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc(F)c1CO.
What is the InChIKey of N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide?
The InChIKey is XAOOIRSESKMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O6S/c1-4-18(23)20-15-9-12(8-14(19)13(15)10-22)28(24,25)21-11-5-6-16(26-2)17(7-11)27-3/h5-9,21-22H,4,10H2,1-3H3,(H,20,23).
What are the key properties of N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide?
N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide has a molecular weight of 412.44 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethoxyphenyl)sulfamoyl]-3-fluoro-2-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 58360059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).