1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine

C9H10BrClN2O2S — CID 65244581

IUPAC1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
SMILESNC1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C9H10BrClN2O2S/c10-6-1-2-9(8(11)3-6)16(14,15)13-4-7(12)5-13/h1-3,7H,4-5,12H2
InChIKeyVJLAKJNWNNVLLS-UHFFFAOYSA-N
MW325.62 g/mol
LogP1.43
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine

1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine (PubChem CID 65244581) has the molecular formula C9H10BrClN2O2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
PubChem CID65244581
Molecular FormulaC9H10BrClN2O2S
Molecular Weight325.62 g/mol
Exact Mass323.93
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
SMILESNC1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C9H10BrClN2O2S/c10-6-1-2-9(8(11)3-6)16(14,15)13-4-7(12)5-13/h1-3,7H,4-5,12H2
InChIKeyVJLAKJNWNNVLLS-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
1-(4-bromo-2-chlorophenyl)sulfonyl-4-tert-butylpiperidine
CID 63420879
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997
(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
CID 107225177
1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 119959333
1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 62959424
1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038531
1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47117988
1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
CID 7975709
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969
1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-bromoethyl)piperazine
CID 80675496

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine (CID 65244581) is 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine is NC1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine?
The InChIKey is VJLAKJNWNNVLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2S/c10-6-1-2-9(8(11)3-6)16(14,15)13-4-7(12)5-13/h1-3,7H,4-5,12H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine?
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine has a molecular weight of 325.62 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine is sourced from PubChem (CID 65244581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).