1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H13Cl2N3O4S — CID 119971647

IUPAC1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C10H12ClN3O4S.ClH/c11-9-5-8(14(15)16)1-2-10(9)19(17,18)13-4-3-7(12)6-13;/h1-2,5,7H,3-4,6,12H2;1H
InChIKeyXSVAEAOWHHSIHC-UHFFFAOYSA-N
MW342.20 g/mol
LogP1.39
Rot. Bonds3

About 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119971647) has the molecular formula C10H13Cl2N3O4S and a molecular weight of 342.20 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119971647
Molecular FormulaC10H13Cl2N3O4S
Molecular Weight342.20 g/mol
Exact Mass341.00
IUPAC Name1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C10H12ClN3O4S.ClH/c11-9-5-8(14(15)16)1-2-10(9)19(17,18)13-4-3-7(12)6-13;/h1-2,5,7H,3-4,6,12H2;1H
InChIKeyXSVAEAOWHHSIHC-UHFFFAOYSA-N
XLogP1.39
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
1-(2-chloro-4-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714937
1-(2-methoxy-5-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971570
1-(2-chloro-4-nitrophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982016
2-(2-chloro-4-nitrophenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120583993
1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714276
1-(2-chloro-4-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963349
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
[1-(2-amino-4-nitrophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 115966948

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119971647) is 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is XSVAEAOWHHSIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4S.ClH/c11-9-5-8(14(15)16)1-2-10(9)19(17,18)13-4-3-7(12)6-13;/h1-2,5,7H,3-4,6,12H2;1H.
What are the key properties of 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 342.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119971647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).