N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide

C14H14N2O4S — CID 2920408

IUPACN,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-11-8-9-13(16(17)18)10-14(11)21(19,20)15(2)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyLOXWLEGVCPSHOT-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.73
Rot. Bonds4

About N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide

N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide (PubChem CID 2920408) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide
PubChem CID2920408
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-11-8-9-13(16(17)18)10-14(11)21(19,20)15(2)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyLOXWLEGVCPSHOT-UHFFFAOYSA-N
XLogP2.73
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-fluorophenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 99580877
N-(3-chloro-4-methylphenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 100538866
N-[2-(dimethylamino)ethyl]-2-methyl-5-nitro-N-phenylbenzenesulfonamide
CID 47085851
N-(2-bromophenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 100537727
methyl 4-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]benzoate
CID 100538012
N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652
ethyl 3-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]benzoate
CID 100540686
N,N-dibenzyl-2-methyl-5-nitrobenzenesulfonamide
CID 2900051
2-methyl-2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid
CID 62817268
2-(N-(2-methyl-5-nitrophenyl)sulfonyl-3-nitroanilino)acetic acid
CID 100539643
phenyl 2-methyl-5-nitrobenzenesulfonate
CID 2268936
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide (CID 2920408) is N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide?
The InChIKey is LOXWLEGVCPSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-11-8-9-13(16(17)18)10-14(11)21(19,20)15(2)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide?
N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2920408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).