3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide

C14H16ClN3O2S — CID 114379607

IUPAC3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccnc1CNS(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C14H16ClN3O2S/c1-9-4-3-5-17-13(9)8-18-21(19,20)14-7-11(15)6-12(16)10(14)2/h3-7,18H,8,16H2,1-2H3
InChIKeyWZQPTRKGBBFYKE-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.41
Rot. Bonds4

About 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide

3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114379607) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID114379607
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccnc1CNS(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C14H16ClN3O2S/c1-9-4-3-5-17-13(9)8-18-21(19,20)14-7-11(15)6-12(16)10(14)2/h3-7,18H,8,16H2,1-2H3
InChIKeyWZQPTRKGBBFYKE-UHFFFAOYSA-N
XLogP2.41
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63305909
5-amino-4-bromo-2-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 116530328
4-amino-3-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 82844259
3-amino-5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 114380309
3-amino-5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 114379407
2-bromo-4-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63308971
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295
3-amino-5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylbenzenesulfonamide
CID 106139696
3-amino-5-chloro-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 114380077
3-amino-N-[(3-chlorophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885283
3-amino-5-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208427

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide (CID 114379607) is 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide is Cc1cccnc1CNS(=O)(=O)c1cc(Cl)cc(N)c1C.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is WZQPTRKGBBFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9-4-3-5-17-13(9)8-18-21(19,20)14-7-11(15)6-12(16)10(14)2/h3-7,18H,8,16H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide?
3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114379607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).