N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide

C19H16F2N2O3S — CID 134479081

IUPACN-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
SMILESN[C@H](O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C19H16F2N2O3S/c20-14-6-9-17(18(21)11-14)12-4-7-16(8-5-12)27(25,26)23-15-3-1-2-13(10-15)19(22)24/h1-11,19,23-24H,22H2/t19-/m1/s1
InChIKeyYPXKDFQOOLMELV-LJQANCHMSA-N
MW390.41 g/mol
LogP3.38
Rot. Bonds5

About N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide

N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide (PubChem CID 134479081) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
PubChem CID134479081
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC NameN-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
SMILESN[C@H](O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C19H16F2N2O3S/c20-14-6-9-17(18(21)11-14)12-4-7-16(8-5-12)27(25,26)23-15-3-1-2-13(10-15)19(22)24/h1-11,19,23-24H,22H2/t19-/m1/s1
InChIKeyYPXKDFQOOLMELV-LJQANCHMSA-N
XLogP3.38
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane
CID 145477038
N-[3-(1-amino-2-hydroxyethyl)phenyl]-4-(2,4-difluorophenyl)-3-methylbenzenesulfonamide
CID 75096296
N-[3-[(1S)-1-amino-2-hydroxyethyl]-2-methylphenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
CID 45138635
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
methyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67328564
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
2-amino-1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]ethanol
CID 58378809
N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
CID 25046021
ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]-2-hydroxyphenyl]acetate
CID 25095243
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
CID 143959250

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide (CID 134479081) is N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide is N[C@H](O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.
What is the InChIKey of N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide?
The InChIKey is YPXKDFQOOLMELV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c20-14-6-9-17(18(21)11-14)12-4-7-16(8-5-12)27(25,26)23-15-3-1-2-13(10-15)19(22)24/h1-11,19,23-24H,22H2/t19-/m1/s1.
What are the key properties of N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide?
N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide has a molecular weight of 390.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-amino(hydroxy)methyl]phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 134479081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).