1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H13BrCl2N2O2S — CID 120708379

IUPAC1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C10H12BrClN2O2S.ClH/c11-9-5-8(1-2-10(9)12)17(15,16)14-4-3-7(13)6-14;/h1-2,5,7H,3-4,6,13H2;1H
InChIKeyHCNRHOOXOQEZDJ-UHFFFAOYSA-N
MW376.10 g/mol
LogP2.25
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120708379) has the molecular formula C10H13BrCl2N2O2S and a molecular weight of 376.10 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120708379
Molecular FormulaC10H13BrCl2N2O2S
Molecular Weight376.10 g/mol
Exact Mass373.93
IUPAC Name1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C10H12BrClN2O2S.ClH/c11-9-5-8(1-2-10(9)12)17(15,16)14-4-3-7(13)6-14;/h1-2,5,7H,3-4,6,13H2;1H
InChIKeyHCNRHOOXOQEZDJ-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.10
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
CID 106613066
(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962514
1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 106546810
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
CID 106613268
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
(3S)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993450
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 94340343

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 120708379) is 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is HCNRHOOXOQEZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2S.ClH/c11-9-5-8(1-2-10(9)12)17(15,16)14-4-3-7(13)6-14;/h1-2,5,7H,3-4,6,13H2;1H.
What are the key properties of 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 376.10 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120708379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).