N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide

C14H14Cl2N2O2S — CID 8538684

IUPACN-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-3-4-11(5-9(8)2)21(19,20)18-10-6-12(15)14(17)13(16)7-10/h3-7,18H,17H2,1-2H3
InChIKeyUDEVNTPUKHBSFZ-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.99
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide

N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 8538684) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID8538684
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-3-4-11(5-9(8)2)21(19,20)18-10-6-12(15)14(17)13(16)7-10/h3-7,18H,17H2,1-2H3
InChIKeyUDEVNTPUKHBSFZ-UHFFFAOYSA-N
XLogP3.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide (CID 8538684) is N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is UDEVNTPUKHBSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-8-3-4-11(5-9(8)2)21(19,20)18-10-6-12(15)14(17)13(16)7-10/h3-7,18H,17H2,1-2H3.
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide?
N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 8538684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).