(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride

C11H16Cl2N2O4S — CID 154911275

IUPAC(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](N)[C@H](O)C1.Cl
InChIInChI=1S/C11H15ClN2O4S.ClH/c1-18-10-3-2-7(12)4-11(10)19(16,17)14-5-8(13)9(15)6-14;/h2-4,8-9,15H,5-6,13H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyRANJPTINRIOPFO-VTLYIQCISA-N
MW343.23 g/mol
LogP0.46
Rot. Bonds3

About (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride

(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride (PubChem CID 154911275) has the molecular formula C11H16Cl2N2O4S and a molecular weight of 343.23 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride
PubChem CID154911275
Molecular FormulaC11H16Cl2N2O4S
Molecular Weight343.23 g/mol
Exact Mass342.02
IUPAC Name(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](N)[C@H](O)C1.Cl
InChIInChI=1S/C11H15ClN2O4S.ClH/c1-18-10-3-2-7(12)4-11(10)19(16,17)14-5-8(13)9(15)6-14;/h2-4,8-9,15H,5-6,13H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyRANJPTINRIOPFO-VTLYIQCISA-N
XLogP0.46
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213240
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
(3R,4R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 133114332
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
(3aR,7aS)-2-(5-chloro-2-methoxyphenyl)sulfonyl-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138383287
(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
CID 97427292
(1S,5R)-7-(5-chloro-2-methoxyphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 155910021
N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide
CID 146210987

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride (CID 154911275) is (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride is COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](N)[C@H](O)C1.Cl.
What is the InChIKey of (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride?
The InChIKey is RANJPTINRIOPFO-VTLYIQCISA-N. The full InChI is InChI=1S/C11H15ClN2O4S.ClH/c1-18-10-3-2-7(12)4-11(10)19(16,17)14-5-8(13)9(15)6-14;/h2-4,8-9,15H,5-6,13H2,1H3;1H/t8-,9-;/m1./s1.
What are the key properties of (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride?
(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride has a molecular weight of 343.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 154911275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).