N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide

C12H16N2O4S — CID 75484910

IUPACN-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)NCCC1CC1
InChIInChI=1S/C12H16N2O4S/c15-14(16)12-4-2-1-3-11(12)9-19(17,18)13-8-7-10-5-6-10/h1-4,10,13H,5-9H2
InChIKeySENHVDRSNQCCNH-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.81
Rot. Bonds7

About N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide

N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 75484910) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID75484910
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)NCCC1CC1
InChIInChI=1S/C12H16N2O4S/c15-14(16)12-4-2-1-3-11(12)9-19(17,18)13-8-7-10-5-6-10/h1-4,10,13H,5-9H2
InChIKeySENHVDRSNQCCNH-UHFFFAOYSA-N
XLogP1.81
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyanoethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 55102339
N-[2-(ethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 62664934
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
N-[2-(4-bromocyclohexyl)ethyl]-2-nitrobenzenesulfonamide
CID 171743231
4-[(2-nitrophenyl)methylsulfonylamino]butanoic acid
CID 62021246
N-(2-amino-2-ethylbutyl)-1-(2-nitrophenyl)methanesulfonamide
CID 115305942
N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 66185393
2-[(2-nitrophenyl)methylsulfonylamino]acetamide
CID 64591767
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
N-(2-amino-1-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 65188663
N-[(1-aminocyclobutyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 103352843

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide (CID 75484910) is N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is SENHVDRSNQCCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-14(16)12-4-2-1-3-11(12)9-19(17,18)13-8-7-10-5-6-10/h1-4,10,13H,5-9H2.
What are the key properties of N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide?
N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 284.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 75484910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).