4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide

C11H15N3O4S — CID 43533666

IUPAC4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C11H15N3O4S/c1-7(8-2-3-8)13-19(17,18)9-4-5-10(12)11(6-9)14(15)16/h4-8,13H,2-3,12H2,1H3
InChIKeyGNCMXCQKEJJSNP-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.25
Rot. Bonds5

About 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide

4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide (PubChem CID 43533666) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide
PubChem CID43533666
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C11H15N3O4S/c1-7(8-2-3-8)13-19(17,18)9-4-5-10(12)11(6-9)14(15)16/h4-8,13H,2-3,12H2,1H3
InChIKeyGNCMXCQKEJJSNP-UHFFFAOYSA-N
XLogP1.25
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzenesulfonamide
CID 63837488
3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
CID 167339915
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
4-amino-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729066
N-(1-cyclopropylethyl)-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62147833
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
4-amino-N-(2-cyclopentylethyl)-3-nitrobenzenesulfonamide
CID 60920840
4-amino-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297052
[(4-amino-3-nitrophenyl)sulfonylamino]azaniumylideneazanide
CID 57276370
1-N-(1-cyclopropylethyl)-4-nitrobenzene-1,3-diamine
CID 106748983
2-cyclopropyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetic acid
CID 62695957

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide (CID 43533666) is 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide?
The InChIKey is GNCMXCQKEJJSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7(8-2-3-8)13-19(17,18)9-4-5-10(12)11(6-9)14(15)16/h4-8,13H,2-3,12H2,1H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide?
4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide has a molecular weight of 285.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43533666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).