N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide

C11H14ClN3O4S — CID 65188609

IUPACN-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1
InChIInChI=1S/C11H14ClN3O4S/c12-9-5-8(15(16)17)3-4-11(9)20(18,19)14-10(6-13)7-1-2-7/h3-5,7,10,14H,1-2,6,13H2
InChIKeyXRZDRJHRVIDZDN-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.26
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide (PubChem CID 65188609) has the molecular formula C11H14ClN3O4S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide
PubChem CID65188609
Molecular FormulaC11H14ClN3O4S
Molecular Weight319.77 g/mol
Exact Mass319.04
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1
InChIInChI=1S/C11H14ClN3O4S/c12-9-5-8(15(16)17)3-4-11(9)20(18,19)14-10(6-13)7-1-2-7/h3-5,7,10,14H,1-2,6,13H2
InChIKeyXRZDRJHRVIDZDN-UHFFFAOYSA-N
XLogP1.26
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.26
H-Bond Donors ≤ 52
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

N-(2-amino-1-cyclohexylethyl)-2-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119983831
N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
CID 120585203
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
2-chloro-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970329
N-[2-(aminomethyl)cyclohexyl]-2-chloro-4-nitrobenzenesulfonamide;hydrochloride
CID 119986216
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(3-aminopropyl)-2-chloro-4-nitrobenzenesulfonamide;hydrochloride
CID 119962115
(2S)-2-[(2-chloro-4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid
CID 28542226

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide (CID 65188609) is N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide is NCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide?
The InChIKey is XRZDRJHRVIDZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4S/c12-9-5-8(15(16)17)3-4-11(9)20(18,19)14-10(6-13)7-1-2-7/h3-5,7,10,14H,1-2,6,13H2.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide has a molecular weight of 319.77 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 65188609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).