N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide

C15H15ClN2O4S — CID 25039055

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C15H15ClN2O4S/c1-10-7-11(2)15(13(16)8-10)17-23(21,22)9-12-5-3-4-6-14(12)18(19)20/h3-8,17H,9H2,1-2H3
InChIKeyPENZRDJCVUUXOS-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.81
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide

N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 25039055) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID25039055
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C15H15ClN2O4S/c1-10-7-11(2)15(13(16)8-10)17-23(21,22)9-12-5-3-4-6-14(12)18(19)20/h3-8,17H,9H2,1-2H3
InChIKeyPENZRDJCVUUXOS-UHFFFAOYSA-N
XLogP3.81
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.81
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'}

Analyze N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide
CID 17257593
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
N-(2-cyano-5-methylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 3780515
N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75449066
N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 25047208
N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62022225
1-(3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 92682818
N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 71847210
1-ethyl-2-nitrobenzene;(2-nitrophenyl)methanesulfonyl chloride
CID 160906769
4-bromo-2,6-dimethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28596634
N-[2-(ethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 62664934
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide (CID 25039055) is N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide is Cc1cc(C)c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is PENZRDJCVUUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-10-7-11(2)15(13(16)8-10)17-23(21,22)9-12-5-3-4-6-14(12)18(19)20/h3-8,17H,9H2,1-2H3.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide?
N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 354.82 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 25039055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).