N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide

C14H14Cl2N2O2S — CID 43602656

IUPACN-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(N)c2)c1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-6-12(15)9(2)14(13(8)16)21(19,20)18-11-5-3-4-10(17)7-11/h3-7,18H,17H2,1-2H3
InChIKeyLGJHIPFQTUEPAP-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.99
Rot. Bonds3

About N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide

N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide (PubChem CID 43602656) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
PubChem CID43602656
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC NameN-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(N)c2)c1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-6-12(15)9(2)14(13(8)16)21(19,20)18-11-5-3-4-10(17)7-11/h3-7,18H,17H2,1-2H3
InChIKeyLGJHIPFQTUEPAP-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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Related Compounds

N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
2,5-dichloro-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-3,6-dimethylbenzenesulfonamide
CID 24663037
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide
CID 8501184
2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 26969811
2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 8500581
N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide
CID 67893138
2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 8519137
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide (CID 43602656) is N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(N)c2)c1Cl.
What is the InChIKey of N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The InChIKey is LGJHIPFQTUEPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-8-6-12(15)9(2)14(13(8)16)21(19,20)18-11-5-3-4-10(17)7-11/h3-7,18H,17H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
N-(3-aminophenyl)-2,5-dichloro-3,6-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-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43602656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).