1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine

C10H12ClN3O4S — CID 43101946

IUPAC1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine
SMILESNC1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H12ClN3O4S/c11-8-4-3-7(14(15)16)6-9(8)19(17,18)13-5-1-2-10(13)12/h3-4,6,10H,1-2,5,12H2
InChIKeyBYYFVXHOIQARGI-UHFFFAOYSA-N
MW305.74 g/mol
LogP1.32
Rot. Bonds3

About 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine

1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine (PubChem CID 43101946) has the molecular formula C10H12ClN3O4S and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine
PubChem CID43101946
Molecular FormulaC10H12ClN3O4S
Molecular Weight305.74 g/mol
Exact Mass305.02
IUPAC Name1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine
SMILESNC1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H12ClN3O4S/c11-8-4-3-7(14(15)16)6-9(8)19(17,18)13-5-1-2-10(13)12/h3-4,6,10H,1-2,5,12H2
InChIKeyBYYFVXHOIQARGI-UHFFFAOYSA-N
XLogP1.32
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 51.32
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)sulfonyl-3-methylpiperidin-2-amine
CID 107070692
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292
4-(2-chloro-5-nitrophenyl)sulfonyl-3-methylmorpholine
CID 43429161
[1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312408
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
1-(2-ethyl-5-nitrophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60595981
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031991
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methoxypyrrolidine
CID 103532779
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
CID 4798614

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine (CID 43101946) is 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine is NC1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine?
The InChIKey is BYYFVXHOIQARGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4S/c11-8-4-3-7(14(15)16)6-9(8)19(17,18)13-5-1-2-10(13)12/h3-4,6,10H,1-2,5,12H2.
What are the key properties of 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine?
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine has a molecular weight of 305.74 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidin-2-amine is sourced from PubChem (CID 43101946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).