4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide

C15H19N3O2S — CID 106033343

IUPAC4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccnc2)cc1CNC
InChIInChI=1S/C15H19N3O2S/c1-3-12-6-7-15(9-13(12)10-16-2)21(19,20)18-14-5-4-8-17-11-14/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeySCOFAVXEIIJBTH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.16
Rot. Bonds6

About 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide

4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 106033343) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID106033343
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccnc2)cc1CNC
InChIInChI=1S/C15H19N3O2S/c1-3-12-6-7-15(9-13(12)10-16-2)21(19,20)18-14-5-4-8-17-11-14/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeySCOFAVXEIIJBTH-UHFFFAOYSA-N
XLogP2.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082502
5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033207
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088073
4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029424
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide (CID 106033343) is 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccnc2)cc1CNC.
What is the InChIKey of 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is SCOFAVXEIIJBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12-6-7-15(9-13(12)10-16-2)21(19,20)18-14-5-4-8-17-11-14/h4-9,11,16,18H,3,10H2,1-2H3.
What are the key properties of 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide?
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106033343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).