3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide

C14H16ClN3O2S — CID 79885317

IUPAC3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2c(C)ccnc2Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-8-6-11(16)10(3)12(7-8)21(19,20)18-13-9(2)4-5-17-14(13)15/h4-7,18H,16H2,1-3H3
InChIKeyWLGYOKLBTOAOOW-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.04
Rot. Bonds3

About 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide

3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 79885317) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
PubChem CID79885317
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2c(C)ccnc2Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-8-6-11(16)10(3)12(7-8)21(19,20)18-13-9(2)4-5-17-14(13)15/h4-7,18H,16H2,1-3H3
InChIKeyWLGYOKLBTOAOOW-UHFFFAOYSA-N
XLogP3.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65489469
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
3-amino-2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 79889224

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide (CID 79885317) is 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2c(C)ccnc2Cl)c1.
What is the InChIKey of 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is WLGYOKLBTOAOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-8-6-11(16)10(3)12(7-8)21(19,20)18-13-9(2)4-5-17-14(13)15/h4-7,18H,16H2,1-3H3.
What are the key properties of 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79885317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).