N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide

C17H21N3O2S — CID 133316561

IUPACN-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide
SMILESCc1cccc(CNc2ccc(S(=O)(=O)NCC3CC3)cn2)c1
InChIInChI=1S/C17H21N3O2S/c1-13-3-2-4-15(9-13)10-18-17-8-7-16(12-19-17)23(21,22)20-11-14-5-6-14/h2-4,7-9,12,14,20H,5-6,10-11H2,1H3,(H,18,19)
InChIKeyPQIBLKFJWMCGCY-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.69
Rot. Bonds7

About N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide

N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide (PubChem CID 133316561) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide
PubChem CID133316561
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide
SMILESCc1cccc(CNc2ccc(S(=O)(=O)NCC3CC3)cn2)c1
InChIInChI=1S/C17H21N3O2S/c1-13-3-2-4-15(9-13)10-18-17-8-7-16(12-19-17)23(21,22)20-11-14-5-6-14/h2-4,7-9,12,14,20H,5-6,10-11H2,1H3,(H,18,19)
InChIKeyPQIBLKFJWMCGCY-UHFFFAOYSA-N
XLogP2.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide (CID 133316561) is N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide is Cc1cccc(CNc2ccc(S(=O)(=O)NCC3CC3)cn2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide?
The InChIKey is PQIBLKFJWMCGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-3-2-4-15(9-13)10-18-17-8-7-16(12-19-17)23(21,22)20-11-14-5-6-14/h2-4,7-9,12,14,20H,5-6,10-11H2,1H3,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide?
N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[(3-methylphenyl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133316561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).