N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide

C14H12Cl2N2O4S — CID 25047208

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O4S/c15-12-6-5-10(7-13(12)16)8-17-23(21,22)9-11-3-1-2-4-14(11)18(19)20/h1-7,17H,8-9H2
InChIKeySCNCAJCTEQARJL-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.52
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide

N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 25047208) has the molecular formula C14H12Cl2N2O4S and a molecular weight of 375.23 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
PubChem CID25047208
Molecular FormulaC14H12Cl2N2O4S
Molecular Weight375.23 g/mol
Exact Mass373.99
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O4S/c15-12-6-5-10(7-13(12)16)8-17-23(21,22)9-11-3-1-2-4-14(11)18(19)20/h1-7,17H,8-9H2
InChIKeySCNCAJCTEQARJL-UHFFFAOYSA-N
XLogP3.52
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.52
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

N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 79529527
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
N-[(2-nitrophenyl)methyl]ethanesulfonamide
CID 47372545
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
N-(2-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75484910
N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 25039055
2-[(2-nitrophenyl)methylsulfonylamino]acetamide
CID 64591767
N-(2-cyanoethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 55102339
N-[2-(ethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 62664934
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
4-chloro-N-[(3,4-dichlorophenyl)methyl]-3-nitroaniline
CID 22217217
N-(2-amino-2-ethylbutyl)-1-(2-nitrophenyl)methanesulfonamide
CID 115305942

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide (CID 25047208) is N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is SCNCAJCTEQARJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4S/c15-12-6-5-10(7-13(12)16)8-17-23(21,22)9-11-3-1-2-4-14(11)18(19)20/h1-7,17H,8-9H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide?
N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 375.23 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 25047208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).