2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine

C15H20N4O2S — CID 113026646

IUPAC2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)N(C)C)nc2)c1
InChIInChI=1S/C15H20N4O2S/c1-12-5-4-6-13(9-12)10-16-14-7-8-15(17-11-14)18-22(20,21)19(2)3/h4-9,11,16H,10H2,1-3H3,(H,17,18)
InChIKeyIPFUYYQSROPHKE-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.22
Rot. Bonds6

About 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine

2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine (PubChem CID 113026646) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
PubChem CID113026646
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
SMILESCc1cccc(CNc2ccc(NS(=O)(=O)N(C)C)nc2)c1
InChIInChI=1S/C15H20N4O2S/c1-12-5-4-6-13(9-12)10-16-14-7-8-15(17-11-14)18-22(20,21)19(2)3/h4-9,11,16H,10H2,1-3H3,(H,17,18)
InChIKeyIPFUYYQSROPHKE-UHFFFAOYSA-N
XLogP2.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011734
5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61313338
2-(dimethylsulfamoylamino)-5-(2-methylpropylamino)pyridine
CID 113024164
N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine?
The IUPAC name of 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine (CID 113026646) is 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine?
The canonical SMILES for 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine is Cc1cccc(CNc2ccc(NS(=O)(=O)N(C)C)nc2)c1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine?
The InChIKey is IPFUYYQSROPHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-12-5-4-6-13(9-12)10-16-14-7-8-15(17-11-14)18-22(20,21)19(2)3/h4-9,11,16H,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine?
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine has a molecular weight of 320.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine is sourced from PubChem (CID 113026646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).