N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide

C13H13N3O6S2 — CID 39837774

IUPACN-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O6S2/c1-23(19,20)14-10-6-2-3-7-11(10)15-24(21,22)13-9-5-4-8-12(13)16(17)18/h2-9,14-15H,1H3
InChIKeyGTONTMGIRJPTGR-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.77
Rot. Bonds6

About N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide

N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide (PubChem CID 39837774) has the molecular formula C13H13N3O6S2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
PubChem CID39837774
Molecular FormulaC13H13N3O6S2
Molecular Weight371.40 g/mol
Exact Mass371.02
IUPAC NameN-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O6S2/c1-23(19,20)14-10-6-2-3-7-11(10)15-24(21,22)13-9-5-4-8-12(13)16(17)18/h2-9,14-15H,1H3
InChIKeyGTONTMGIRJPTGR-UHFFFAOYSA-N
XLogP1.77
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
N-(2-formylphenyl)-2-nitrobenzenesulfonamide
CID 86621161
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(2-butylphenyl)-2-nitrobenzenesulfonamide
CID 22774386
4-methyl-N-[2-[(4-methyl-2-nitrophenyl)sulfonylamino]phenyl]-2-nitrobenzenesulfonamide
CID 100971716
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4142655
N-(3,4-dimethyl-1H-indol-7-yl)-2-nitrobenzenesulfonamide
CID 170407663
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide (CID 39837774) is N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide is CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide?
The InChIKey is GTONTMGIRJPTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O6S2/c1-23(19,20)14-10-6-2-3-7-11(10)15-24(21,22)13-9-5-4-8-12(13)16(17)18/h2-9,14-15H,1H3.
What are the key properties of N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide?
N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide has a molecular weight of 371.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 39837774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).