N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide

C13H10Cl2N2O4S — CID 18891447

IUPACN-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H10Cl2N2O4S/c14-10-3-1-9(2-4-10)8-22(20,21)16-13-7-11(17(18)19)5-6-12(13)15/h1-7,16H,8H2
InChIKeyULMPDJVCGNVWCN-UHFFFAOYSA-N
MW361.21 g/mol
LogP3.84
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide

N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide (PubChem CID 18891447) has the molecular formula C13H10Cl2N2O4S and a molecular weight of 361.21 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide
PubChem CID18891447
Molecular FormulaC13H10Cl2N2O4S
Molecular Weight361.21 g/mol
Exact Mass359.97
IUPAC NameN-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H10Cl2N2O4S/c14-10-3-1-9(2-4-10)8-22(20,21)16-13-7-11(17(18)19)5-6-12(13)15/h1-7,16H,8H2
InChIKeyULMPDJVCGNVWCN-UHFFFAOYSA-N
XLogP3.84
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 53.84
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

1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitroaniline
CID 43718811
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 18891357
2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-5-nitroaniline
CID 81144865
N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide
CID 29279096
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-5-nitroaniline
CID 43719036

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide (CID 18891447) is N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide is O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide?
The InChIKey is ULMPDJVCGNVWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4S/c14-10-3-1-9(2-4-10)8-22(20,21)16-13-7-11(17(18)19)5-6-12(13)15/h1-7,16H,8H2.
What are the key properties of N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide?
N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide has a molecular weight of 361.21 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 18891447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).