N-methyl-N-(2-nitrophenyl)methanesulfonamide

C8H10N2O4S — CID 13314625

IUPACN-methyl-N-(2-nitrophenyl)methanesulfonamide
SMILESCN(c1ccccc1[N+](=O)[O-])S(C)(=O)=O
InChIInChI=1S/C8H10N2O4S/c1-9(15(2,13)14)7-5-3-4-6-8(7)10(11)12/h3-6H,1-2H3
InChIKeyMXWUQRNCQCAURO-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.99
Rot. Bonds3

About N-methyl-N-(2-nitrophenyl)methanesulfonamide

N-methyl-N-(2-nitrophenyl)methanesulfonamide (PubChem CID 13314625) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is N-methyl-N-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-nitrophenyl)methanesulfonamide
PubChem CID13314625
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC NameN-methyl-N-(2-nitrophenyl)methanesulfonamide
SMILESCN(c1ccccc1[N+](=O)[O-])S(C)(=O)=O
InChIInChI=1S/C8H10N2O4S/c1-9(15(2,13)14)7-5-3-4-6-8(7)10(11)12/h3-6H,1-2H3
InChIKeyMXWUQRNCQCAURO-UHFFFAOYSA-N
XLogP0.99
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.99
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-(5-bromo-2-nitrophenyl)-N-methylmethanesulfonamide
CID 134507874
N-cyclopropyl-N-(2-nitrophenyl)methanesulfonamide
CID 172627024
N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide
CID 163387289
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
N-[3-(benzenesulfonyl)-2-nitrophenyl]-N-methylmethanesulfonamide
CID 23302642
N,N-dichloro-2-nitroaniline
CID 13272655
N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522296
N-(5-bromo-4-methyl-2-nitrophenyl)-N-methylmethanesulfonamide
CID 163387572
ethane;1-methylsulfonyl-2-nitrobenzene
CID 143845795
N-methyl-N-[2-[methyl-(2-nitrophenyl)sulfonylamino]phenyl]carbamoyl chloride
CID 89058737
N-[5-(cyclopropylmethoxy)-2-nitrophenyl]-N-methylmethanesulfonamide
CID 163387481
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
CID 61061885

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-methyl-N-(2-nitrophenyl)methanesulfonamide (CID 13314625) is N-methyl-N-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(2-nitrophenyl)methanesulfonamide is CN(c1ccccc1[N+](=O)[O-])S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-nitrophenyl)methanesulfonamide?
The InChIKey is MXWUQRNCQCAURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-9(15(2,13)14)7-5-3-4-6-8(7)10(11)12/h3-6H,1-2H3.
What are the key properties of N-methyl-N-(2-nitrophenyl)methanesulfonamide?
N-methyl-N-(2-nitrophenyl)methanesulfonamide has a molecular weight of 230.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 13314625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).