4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide

C14H17N3O2S — CID 106919393

IUPAC4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnccc2C)ccc1CN
InChIInChI=1S/C14H17N3O2S/c1-10-5-6-16-9-14(10)17-20(18,19)13-4-3-12(8-15)11(2)7-13/h3-7,9,17H,8,15H2,1-2H3
InChIKeyYDHAQVSQCYAOIQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.96
Rot. Bonds4

About 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide

4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106919393) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106919393
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnccc2C)ccc1CN
InChIInChI=1S/C14H17N3O2S/c1-10-5-6-16-9-14(10)17-20(18,19)13-4-3-12(8-15)11(2)7-13/h3-7,9,17H,8,15H2,1-2H3
InChIKeyYDHAQVSQCYAOIQ-UHFFFAOYSA-N
XLogP1.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
5-(aminomethyl)-2-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063130
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 114141286
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide
CID 106075981
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143
3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063067
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 106919393) is 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cnccc2C)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is YDHAQVSQCYAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-5-6-16-9-14(10)17-20(18,19)13-4-3-12(8-15)11(2)7-13/h3-7,9,17H,8,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106919393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).