N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide

C16H17N3O7S2 — CID 3881300

IUPACN-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17N3O7S2/c20-19(21)16-12-14(28(24,25)18-8-10-26-11-9-18)6-7-15(16)17-27(22,23)13-4-2-1-3-5-13/h1-7,12,17H,8-11H2
InChIKeyWOWYAHIOHVKJPP-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.42
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide

N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide (PubChem CID 3881300) has the molecular formula C16H17N3O7S2 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
PubChem CID3881300
Molecular FormulaC16H17N3O7S2
Molecular Weight427.46 g/mol
Exact Mass427.05
IUPAC NameN-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17N3O7S2/c20-19(21)16-12-14(28(24,25)18-8-10-26-11-9-18)6-7-15(16)17-27(22,23)13-4-2-1-3-5-13/h1-7,12,17H,8-11H2
InChIKeyWOWYAHIOHVKJPP-UHFFFAOYSA-N
XLogP1.42
TPSA135.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-benzyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 2867352
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26952653
4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-phenylcyclopropyl)methyl]aniline
CID 46683945
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 7997947
4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline
CID 9279987
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 7420245
4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
CID 3954704
3,5-dimethyl-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-1-phenylpyrazol-4-amine
CID 17402532
4-(3-nitro-4-phenylsulfanylphenyl)sulfonylmorpholine
CID 4811406
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide (CID 3881300) is N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide?
The InChIKey is WOWYAHIOHVKJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O7S2/c20-19(21)16-12-14(28(24,25)18-8-10-26-11-9-18)6-7-15(16)17-27(22,23)13-4-2-1-3-5-13/h1-7,12,17H,8-11H2.
What are the key properties of N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide?
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide has a molecular weight of 427.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 3881300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).