N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide

C19H23FN2O3S — CID 175231730

IUPACN-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESNC(Cc1ccccc1)C(O)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c20-15-6-10-17(11-7-15)26(24,25)22(16-8-9-16)13-19(23)18(21)12-14-4-2-1-3-5-14/h1-7,10-11,16,18-19,23H,8-9,12-13,21H2
InChIKeyOYIGLUAXCXFDNS-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.91
Rot. Bonds8

About N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide

N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide (PubChem CID 175231730) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide
PubChem CID175231730
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESNC(Cc1ccccc1)C(O)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c20-15-6-10-17(11-7-15)26(24,25)22(16-8-9-16)13-19(23)18(21)12-14-4-2-1-3-5-14/h1-7,10-11,16,18-19,23H,8-9,12-13,21H2
InChIKeyOYIGLUAXCXFDNS-UHFFFAOYSA-N
XLogP1.91
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide
CID 10222783
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclopropyl-4-nitrobenzenesulfonamide
CID 163213927
benzyl N-[(2S,3R)-4-[benzenesulfonyl(cyclohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 508285
4-amino-N-[(3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 46780138
(2R,4S,5S)-5-amino-2-benzyl-6-(4-fluorophenyl)-4-hydroxyhexanoic acid
CID 22874192
4-amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl]benzenesulfonamide
CID 25270212
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide;hydrochloride
CID 87740079
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclopentyloxy-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 58683447
N-[(2S,3S)-3-amino-2-hydroxy-3-phenylpropyl]-3,4-dichloro-N-cyclobutylbenzenesulfonamide
CID 162644714
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 2917007
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide (CID 175231730) is N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide is NC(Cc1ccccc1)C(O)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide?
The InChIKey is OYIGLUAXCXFDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c20-15-6-10-17(11-7-15)26(24,25)22(16-8-9-16)13-19(23)18(21)12-14-4-2-1-3-5-14/h1-7,10-11,16,18-19,23H,8-9,12-13,21H2.
What are the key properties of N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide?
N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 175231730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).