N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide

C23H24FNO4S — CID 101497565

IUPACN-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1ccccc1)CC(O)COCc1ccccc1
InChIInChI=1S/C23H24FNO4S/c24-22-13-7-8-14-23(22)30(27,28)25(15-19-9-3-1-4-10-19)16-21(26)18-29-17-20-11-5-2-6-12-20/h1-14,21,26H,15-18H2
InChIKeyXPWQJZSMHFMRRO-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.59
Rot. Bonds10

About N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide

N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide (PubChem CID 101497565) has the molecular formula C23H24FNO4S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide
PubChem CID101497565
Molecular FormulaC23H24FNO4S
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC NameN-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1ccccc1)CC(O)COCc1ccccc1
InChIInChI=1S/C23H24FNO4S/c24-22-13-7-8-14-23(22)30(27,28)25(15-19-9-3-1-4-10-19)16-21(26)18-29-17-20-11-5-2-6-12-20/h1-14,21,26H,15-18H2
InChIKeyXPWQJZSMHFMRRO-UHFFFAOYSA-N
XLogP3.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 16655816
(2S)-1-[benzyl-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93177479
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
CID 2695389
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93147017
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806
2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylbenzamide
CID 111781994

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide (CID 101497565) is N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide is O=S(=O)(c1ccccc1F)N(Cc1ccccc1)CC(O)COCc1ccccc1.
What is the InChIKey of N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide?
The InChIKey is XPWQJZSMHFMRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4S/c24-22-13-7-8-14-23(22)30(27,28)25(15-19-9-3-1-4-10-19)16-21(26)18-29-17-20-11-5-2-6-12-20/h1-14,21,26H,15-18H2.
What are the key properties of N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide?
N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide is sourced from PubChem (CID 101497565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).