4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide

C16H16ClN3O7S2 — CID 26952653

IUPAC4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C16H16ClN3O7S2/c17-15-5-4-13(11-16(15)20(21)22)28(23,24)18-12-2-1-3-14(10-12)29(25,26)19-6-8-27-9-7-19/h1-5,10-11,18H,6-9H2
InChIKeyWBJSORFQSUPCQF-UHFFFAOYSA-N
MW461.91 g/mol
LogP2.07
Rot. Bonds6

About 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide

4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide (PubChem CID 26952653) has the molecular formula C16H16ClN3O7S2 and a molecular weight of 461.91 g/mol. Its IUPAC name is 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
PubChem CID26952653
Molecular FormulaC16H16ClN3O7S2
Molecular Weight461.91 g/mol
Exact Mass461.01
IUPAC Name4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C16H16ClN3O7S2/c17-15-5-4-13(11-16(15)20(21)22)28(23,24)18-12-2-1-3-14(10-12)29(25,26)19-6-8-27-9-7-19/h1-5,10-11,18H,6-9H2
InChIKeyWBJSORFQSUPCQF-UHFFFAOYSA-N
XLogP2.07
TPSA135.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 52.07
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-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318
N-(3-chlorophenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 7997947
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
4-chloro-N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26969002
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
N-[(2,6-dichlorophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5113890

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide (CID 26952653) is 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is WBJSORFQSUPCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O7S2/c17-15-5-4-13(11-16(15)20(21)22)28(23,24)18-12-2-1-3-14(10-12)29(25,26)19-6-8-27-9-7-19/h1-5,10-11,18H,6-9H2.
What are the key properties of 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide?
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide has a molecular weight of 461.91 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 26952653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).