N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide

C10H13N3O4S — CID 66185393

IUPACN-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)NC1CNC1
InChIInChI=1S/C10H13N3O4S/c14-13(15)10-4-2-1-3-8(10)7-18(16,17)12-9-5-11-6-9/h1-4,9,11-12H,5-7H2
InChIKeyIHCHAWDHWWJZME-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.01
Rot. Bonds5

About N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide

N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 66185393) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID66185393
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC NameN-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)NC1CNC1
InChIInChI=1S/C10H13N3O4S/c14-13(15)10-4-2-1-3-8(10)7-18(16,17)12-9-5-11-6-9/h1-4,9,11-12H,5-7H2
InChIKeyIHCHAWDHWWJZME-UHFFFAOYSA-N
XLogP-0.01
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.01
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-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75484910
N-(1,3-dihydroxypropan-2-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 65314292
N-methyl-1-(2-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297855
N-(2-cyanocyclopentyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62963451
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
2-[(2-nitrophenyl)methylsulfonylamino]acetamide
CID 64591767
N-(2-amino-1-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 65188663
N-(2-cyanoethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 55102339
N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62022225
N-[2-(ethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 62664934
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
N-[(1-aminocyclobutyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 103352843

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide (CID 66185393) is N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is IHCHAWDHWWJZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-13(15)10-4-2-1-3-8(10)7-18(16,17)12-9-5-11-6-9/h1-4,9,11-12H,5-7H2.
What are the key properties of N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide?
N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 66185393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).