1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol

C12H15ClN2O3S — CID 107212622

IUPAC1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESNc1cc(S(=O)(=O)N2CC(O)(C3CC3)C2)ccc1Cl
InChIInChI=1S/C12H15ClN2O3S/c13-10-4-3-9(5-11(10)14)19(17,18)15-6-12(16,7-15)8-1-2-8/h3-5,8,16H,1-2,6-7,14H2
InChIKeyNVRNRLCJUYAUGH-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.07
Rot. Bonds3

About 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol

1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol (PubChem CID 107212622) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
PubChem CID107212622
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESNc1cc(S(=O)(=O)N2CC(O)(C3CC3)C2)ccc1Cl
InChIInChI=1S/C12H15ClN2O3S/c13-10-4-3-9(5-11(10)14)19(17,18)15-6-12(16,7-15)8-1-2-8/h3-5,8,16H,1-2,6-7,14H2
InChIKeyNVRNRLCJUYAUGH-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.07
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-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099
1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212534
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
CID 63156801
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonylbenzoic acid
CID 107215477
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
CID 138985743
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212543
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The IUPAC name of 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol (CID 107212622) is 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol is Nc1cc(S(=O)(=O)N2CC(O)(C3CC3)C2)ccc1Cl.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The InChIKey is NVRNRLCJUYAUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c13-10-4-3-9(5-11(10)14)19(17,18)15-6-12(16,7-15)8-1-2-8/h3-5,8,16H,1-2,6-7,14H2.
What are the key properties of 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol has a molecular weight of 302.78 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol is sourced from PubChem (CID 107212622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).