3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide

C14H17N3O2S2 — CID 43299578

IUPAC3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CSc2ccncc2N)c1
InChIInChI=1S/C14H17N3O2S2/c1-17(2)21(18,19)12-5-3-4-11(8-12)10-20-14-6-7-16-9-13(14)15/h3-9H,10,15H2,1-2H3
InChIKeyDSRSPQRHGZUZAK-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.21
Rot. Bonds5

About 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide

3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 43299578) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID43299578
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CSc2ccncc2N)c1
InChIInChI=1S/C14H17N3O2S2/c1-17(2)21(18,19)12-5-3-4-11(8-12)10-20-14-6-7-16-9-13(14)15/h3-9H,10,15H2,1-2H3
InChIKeyDSRSPQRHGZUZAK-UHFFFAOYSA-N
XLogP2.21
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide (CID 43299578) is 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CSc2ccncc2N)c1.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is DSRSPQRHGZUZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-17(2)21(18,19)12-5-3-4-11(8-12)10-20-14-6-7-16-9-13(14)15/h3-9H,10,15H2,1-2H3.
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide?
3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-pyridinyl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43299578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).