N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide

C8H9BrN2O3S — CID 142334328

IUPACN-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide
SMILESCN(c1cc(Br)ccc1[N+](=O)[O-])S(C)=O
InChIInChI=1S/C8H9BrN2O3S/c1-10(15(2)14)8-5-6(9)3-4-7(8)11(12)13/h3-5H,1-2H3
InChIKeyGJOCAHZUFDPLNN-UHFFFAOYSA-N
MW293.14 g/mol
LogP2.09
Rot. Bonds3

About N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide

N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide (PubChem CID 142334328) has the molecular formula C8H9BrN2O3S and a molecular weight of 293.14 g/mol. Its IUPAC name is N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide.

Molecular Properties

Compound NameN-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide
PubChem CID142334328
Molecular FormulaC8H9BrN2O3S
Molecular Weight293.14 g/mol
Exact Mass291.95
IUPAC NameN-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide
SMILESCN(c1cc(Br)ccc1[N+](=O)[O-])S(C)=O
InChIInChI=1S/C8H9BrN2O3S/c1-10(15(2)14)8-5-6(9)3-4-7(8)11(12)13/h3-5H,1-2H3
InChIKeyGJOCAHZUFDPLNN-UHFFFAOYSA-N
XLogP2.09
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-bromo-N-(2-chloroethyl)-N-methyl-2-nitroaniline
CID 90077972
N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfonamide
CID 134507874
4-(5-bromo-N-methyl-2-nitroanilino)butanoic acid
CID 65341481
N'-(5-bromo-2-nitrophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79660873
methyl 2-(5-bromo-N-methyl-2-nitroanilino)acetate
CID 65343237
4-(5-bromo-N-methyl-2-nitroanilino)benzonitrile
CID 65341813
3-(5-bromo-N-methyl-2-nitroanilino)butanenitrile
CID 65341860
2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
CID 65343582
N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide
CID 131861820
5-bromo-N-methyl-2-nitro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 133368508
(2R)-3-(5-bromo-N-methyl-2-nitroanilino)-N,2-dimethylpropanamide
CID 97231120
(5-bromo-2-nitro-N-propan-2-ylanilino) acetate
CID 57124480

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide?
The IUPAC name of N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide (CID 142334328) is N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide.
What is the SMILES notation for N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide?
The canonical SMILES for N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide is CN(c1cc(Br)ccc1[N+](=O)[O-])S(C)=O.
What is the InChIKey of N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide?
The InChIKey is GJOCAHZUFDPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3S/c1-10(15(2)14)8-5-6(9)3-4-7(8)11(12)13/h3-5H,1-2H3.
What are the key properties of N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide?
N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide has a molecular weight of 293.14 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide is sourced from PubChem (CID 142334328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).