(3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol

C10H12ClFN2O4S — CID 107213219

IUPAC(3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C10H12ClFN2O4S/c11-6-1-5(13)2-9(10(6)12)19(17,18)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4,13H2/t7-,8+
InChIKeyNRXYHNFNNCCQIE-OCAPTIKFSA-N
MW310.73 g/mol
LogP-0.21
Rot. Bonds2

About (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol

(3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 107213219) has the molecular formula C10H12ClFN2O4S and a molecular weight of 310.73 g/mol. Its IUPAC name is (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID107213219
Molecular FormulaC10H12ClFN2O4S
Molecular Weight310.73 g/mol
Exact Mass310.02
IUPAC Name(3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C10H12ClFN2O4S/c11-6-1-5(13)2-9(10(6)12)19(17,18)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4,13H2/t7-,8+
InChIKeyNRXYHNFNNCCQIE-OCAPTIKFSA-N
XLogP-0.21
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 107213202
8-(5-amino-3-chloro-2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763958
3-chloro-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505020
3-chloro-4-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62986370
1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylazetidin-3-ol
CID 107212145
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-5-chloro-4-fluoroaniline
CID 82751738
5-chloro-3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-2-fluorobenzoic acid
CID 107216000
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
(3S,4R)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213252
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
5-amino-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213485

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol (CID 107213219) is (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol is Nc1cc(Cl)c(F)c(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1.
What is the InChIKey of (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is NRXYHNFNNCCQIE-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H12ClFN2O4S/c11-6-1-5(13)2-9(10(6)12)19(17,18)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4,13H2/t7-,8+.
What are the key properties of (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
(3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 310.73 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 107213219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).