N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide

C15H17N3O7S2 — CID 18274871

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O7S2/c1-17(2)27(23,24)13-6-4-5-11(9-13)16-26(21,22)15-8-7-12(25-3)10-14(15)18(19)20/h4-10,16H,1-3H3
InChIKeyVBSBLZBUZVKRIF-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.65
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide

N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide (PubChem CID 18274871) has the molecular formula C15H17N3O7S2 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide
PubChem CID18274871
Molecular FormulaC15H17N3O7S2
Molecular Weight415.45 g/mol
Exact Mass415.05
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O7S2/c1-17(2)27(23,24)13-6-4-5-11(9-13)16-26(21,22)15-8-7-12(25-3)10-14(15)18(19)20/h4-10,16H,1-3H3
InChIKeyVBSBLZBUZVKRIF-UHFFFAOYSA-N
XLogP1.65
TPSA135.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.65
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-bromophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147940
N-(3-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147954
N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148017
N-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015
N-(2,6-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148013
4-chloro-N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26969002
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18151538
4-methoxy-N-(2-methylsulfanylphenyl)-2-nitrobenzenesulfonamide
CID 18148049
4-methoxy-2-nitro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 18148007
N-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide
CID 23631949

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide (CID 18274871) is N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide?
The InChIKey is VBSBLZBUZVKRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O7S2/c1-17(2)27(23,24)13-6-4-5-11(9-13)16-26(21,22)15-8-7-12(25-3)10-14(15)18(19)20/h4-10,16H,1-3H3.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide has a molecular weight of 415.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 18274871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).