3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

C14H17N3O2S — CID 114954460

IUPAC3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-6-7-16-8-12(10)9-17-20(18,19)14-5-3-4-13(15)11(14)2/h3-8,17H,9,15H2,1-2H3
InChIKeyDSCSZWWCXQOHCI-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114954460) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID114954460
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-6-7-16-8-12(10)9-17-20(18,19)14-5-3-4-13(15)11(14)2/h3-8,17H,9,15H2,1-2H3
InChIKeyDSCSZWWCXQOHCI-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 29038629
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957448
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
3-amino-2-bromo-5-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954404
4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630
4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954391
4-amino-2,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954441
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (CID 114954460) is 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is Cc1ccncc1CNS(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is DSCSZWWCXQOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-6-7-16-8-12(10)9-17-20(18,19)14-5-3-4-13(15)11(14)2/h3-8,17H,9,15H2,1-2H3.
What are the key properties of 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114954460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).