N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide

C15H14Cl2N2O4S — CID 35302707

IUPACN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide
SMILESCc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O4S/c1-10-13(19(20)21)7-4-8-14(10)24(22,23)18(2)9-11-5-3-6-12(16)15(11)17/h3-8H,9H2,1-2H3
InChIKeyKJEKSVDUVIWNQH-UHFFFAOYSA-N
MW389.26 g/mol
LogP4.03
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide

N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide (PubChem CID 35302707) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide
PubChem CID35302707
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide
SMILESCc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O4S/c1-10-13(19(20)21)7-4-8-14(10)24(22,23)18(2)9-11-5-3-6-12(16)15(11)17/h3-8H,9H2,1-2H3
InChIKeyKJEKSVDUVIWNQH-UHFFFAOYSA-N
XLogP4.03
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 54.03
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-[(2,3-dichlorophenyl)methyl]-N-methyl-3-nitrobenzenesulfonamide
CID 112769113
N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 39621487
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
CID 18080162
N,2-dimethyl-3-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64518800
4-methoxy-N-methyl-N-[(2-methyl-3-nitrophenyl)methyl]benzenesulfonamide
CID 60523296
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzenesulfonamide
CID 112706312
N,2,5-trimethyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107036
3-chloro-N,4-dimethyl-N-[(2-methylphenyl)methyl]-5-nitrobenzenesulfonamide
CID 8796570
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
1-chloro-2-methyl-3-nitrobenzene
CID 6740
2-methyl-2-[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 62817099

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide (CID 35302707) is N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide is Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide?
The InChIKey is KJEKSVDUVIWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-10-13(19(20)21)7-4-8-14(10)24(22,23)18(2)9-11-5-3-6-12(16)15(11)17/h3-8H,9H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide?
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide has a molecular weight of 389.26 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 35302707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).