5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C15H19N3O2S — CID 106088022

IUPAC5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C15H19N3O2S/c1-3-13-5-4-12(8-16)7-15(13)21(19,20)18-14-6-11(2)9-17-10-14/h4-7,9-10,18H,3,8,16H2,1-2H3
InChIKeyIIIVJXMSCIQXDO-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.21
Rot. Bonds5

About 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide

5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106088022) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106088022
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C15H19N3O2S/c1-3-13-5-4-12(8-16)7-15(13)21(19,20)18-14-6-11(2)9-17-10-14/h4-7,9-10,18H,3,8,16H2,1-2H3
InChIKeyIIIVJXMSCIQXDO-UHFFFAOYSA-N
XLogP2.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063130
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106087992
2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088068
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
N-[4-(aminomethyl)phenyl]-5-methylpyridin-3-amine
CID 145472983
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106087975
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 106088022) is 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide is CCc1ccc(CN)cc1S(=O)(=O)Nc1cncc(C)c1.
What is the InChIKey of 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is IIIVJXMSCIQXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-13-5-4-12(8-16)7-15(13)21(19,20)18-14-6-11(2)9-17-10-14/h4-7,9-10,18H,3,8,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106088022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).