N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide

C15H19N3O2S — CID 106900712

IUPACN-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cccnc2NC)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-12-6-8-13(9-7-12)11-18-21(19,20)14-5-4-10-17-15(14)16-2/h4-10,18H,3,11H2,1-2H3,(H,16,17)
InChIKeySEMFCVFWFBEFBR-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.16
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide

N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 106900712) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
PubChem CID106900712
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cccnc2NC)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-12-6-8-13(9-7-12)11-18-21(19,20)14-5-4-10-17-15(14)16-2/h4-10,18H,3,11H2,1-2H3,(H,16,17)
InChIKeySEMFCVFWFBEFBR-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

N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717
2-(methylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 63247729
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
2-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 62156810
2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79356890
N-(2-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144368
N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55043958

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide (CID 106900712) is N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide is CCc1ccc(CNS(=O)(=O)c2cccnc2NC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is SEMFCVFWFBEFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12-6-8-13(9-7-12)11-18-21(19,20)14-5-4-10-17-15(14)16-2/h4-10,18H,3,11H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide?
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide 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 N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 106900712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).