2-morpholin-4-yl-5-nitrobenzenesulfonamide

C10H13N3O5S — CID 44586078

IUPAC2-morpholin-4-yl-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C10H13N3O5S/c11-19(16,17)10-7-8(13(14)15)1-2-9(10)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H2,11,16,17)
InChIKeyMLTOXCOUHVZOCG-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.08
Rot. Bonds3

About 2-morpholin-4-yl-5-nitrobenzenesulfonamide

2-morpholin-4-yl-5-nitrobenzenesulfonamide (PubChem CID 44586078) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitrobenzenesulfonamide
PubChem CID44586078
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name2-morpholin-4-yl-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C10H13N3O5S/c11-19(16,17)10-7-8(13(14)15)1-2-9(10)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H2,11,16,17)
InChIKeyMLTOXCOUHVZOCG-UHFFFAOYSA-N
XLogP0.08
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

Benzenesulfonamide, 2-amino-N-ethyl-5-nitro-N-phenyl-
CID 67001
2-nitro-N-(2-oxiranylmethyl)-N-phenylbenzenesulfonamide
CID 3133061
1-(2-Morpholin-4-ylsulfonyl-4-nitroanilino)propan-2-ol
CID 3679991
3-(2-Morpholin-4-ylsulfonyl-4-nitroanilino)propan-1-ol
CID 5054323
4-[2-(4-Ethylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
CID 558538
Ethyl 1-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidine-4-carboxylate
CID 2883296
4-{[2-(4-Methyl-1-piperazinyl)-5-nitrophenyl]sulfonyl}morpholine
CID 2920401
2-(Hexylamino)-5-nitrobenzenesulfonamide
CID 44586645
2-(hexylamino)-N-methyl-5-nitrobenzenesulfonamide
CID 155167971
2-(hexylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 155168070
4-[(2-Nitrophenyl)sulfanyl]morpholine
CID 913240
N-(4-Morpholin-4-yl-phenyl)-2-nitrobenzenesulfonamide
CID 1118418

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitrobenzenesulfonamide?
The IUPAC name of 2-morpholin-4-yl-5-nitrobenzenesulfonamide (CID 44586078) is 2-morpholin-4-yl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-morpholin-4-yl-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-morpholin-4-yl-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitrobenzenesulfonamide?
The InChIKey is MLTOXCOUHVZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c11-19(16,17)10-7-8(13(14)15)1-2-9(10)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H2,11,16,17).
What are the key properties of 2-morpholin-4-yl-5-nitrobenzenesulfonamide?
2-morpholin-4-yl-5-nitrobenzenesulfonamide has a molecular weight of 287.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 44586078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).