1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide

C14H13ClN2O4S — CID 17257593

IUPAC1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide
SMILESCc1c(NS(=O)(=O)Cc2ccccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H13ClN2O4S/c1-10-13(7-4-8-14(10)17(18)19)16-22(20,21)9-11-5-2-3-6-12(11)15/h2-8,16H,9H2,1H3
InChIKeyPGLFTBKNHLZFKL-UHFFFAOYSA-N
MW340.79 g/mol
LogP3.50
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide (PubChem CID 17257593) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide
PubChem CID17257593
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide
SMILESCc1c(NS(=O)(=O)Cc2ccccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H13ClN2O4S/c1-10-13(7-4-8-14(10)17(18)19)16-22(20,21)9-11-5-2-3-6-12(11)15/h2-8,16H,9H2,1H3
InChIKeyPGLFTBKNHLZFKL-UHFFFAOYSA-N
XLogP3.50
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
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

2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 25039055
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
1-chloro-2-methyl-3-nitrobenzene
CID 6740
N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75449066
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
N-(2-cyano-5-methylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 3780515
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-3-nitroaniline
CID 104815836
(2-methyl-3-nitrophenyl)methanesulfonyl fluoride
CID 165461369
N-ethyl-2-methyl-3-nitroaniline
CID 43425875
N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 71847210
3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8515892

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide (CID 17257593) is 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide is Cc1c(NS(=O)(=O)Cc2ccccc2Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide?
The InChIKey is PGLFTBKNHLZFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-10-13(7-4-8-14(10)17(18)19)16-22(20,21)9-11-5-2-3-6-12(11)15/h2-8,16H,9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide has a molecular weight of 340.79 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 17257593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).