(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol

C10H13ClN2O3S — CID 94895309

IUPAC(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](O)C2)c1
InChIInChI=1S/C10H13ClN2O3S/c11-9-2-1-7(12)5-10(9)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2/t8-/m0/s1
InChIKeyWJWDKDMMYZZHEG-QMMMGPOBSA-N
MW276.74 g/mol
LogP0.68
Rot. Bonds2

About (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol

(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 94895309) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID94895309
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](O)C2)c1
InChIInChI=1S/C10H13ClN2O3S/c11-9-2-1-7(12)5-10(9)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2/t8-/m0/s1
InChIKeyWJWDKDMMYZZHEG-QMMMGPOBSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
4-chloro-3-(4-methylsulfonylpiperazin-1-yl)sulfonylaniline
CID 61125223
(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103088611
5-amino-2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 62918180
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
2-(5-amino-2-chlorophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855367
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
(3R)-1-[(4-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 104940811
2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62943175
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol (CID 94895309) is (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol is Nc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](O)C2)c1.
What is the InChIKey of (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is WJWDKDMMYZZHEG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-9-2-1-7(12)5-10(9)17(15,16)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2/t8-/m0/s1.
What are the key properties of (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol?
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 276.74 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 94895309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).