3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C15H19N3O2S — CID 79885270

IUPAC3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC(C)c2cccnc2)c1
InChIInChI=1S/C15H19N3O2S/c1-10-7-14(16)11(2)15(8-10)21(19,20)18-12(3)13-5-4-6-17-9-13/h4-9,12,18H,16H2,1-3H3
InChIKeyCFNFSWLGQPWCDM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.32
Rot. Bonds4

About 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide

3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 79885270) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID79885270
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC(C)c2cccnc2)c1
InChIInChI=1S/C15H19N3O2S/c1-10-7-14(16)11(2)15(8-10)21(19,20)18-12(3)13-5-4-6-17-9-13/h4-9,12,18H,16H2,1-3H3
InChIKeyCFNFSWLGQPWCDM-UHFFFAOYSA-N
XLogP2.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.32
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

3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 43523626
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021295
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
4-amino-3-chloro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 115329699
3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 114378879
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021137
2-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523803
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 79885270) is 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC(C)c2cccnc2)c1.
What is the InChIKey of 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is CFNFSWLGQPWCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-7-14(16)11(2)15(8-10)21(19,20)18-12(3)13-5-4-6-17-9-13/h4-9,12,18H,16H2,1-3H3.
What are the key properties of 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 79885270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).