N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide

C21H30N4O2S — CID 166097338

IUPACN-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)NC2CCC(N(C)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H30N4O2S/c1-24(2)21-14-13-20(15-22-21)28(26,27)23-18-9-11-19(12-10-18)25(3)16-17-7-5-4-6-8-17/h4-8,13-15,18-19,23H,9-12,16H2,1-3H3
InChIKeyFQLLDQRATGWUOR-UHFFFAOYSA-N
MW402.56 g/mol
LogP2.87
Rot. Bonds7

About N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide

N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide (PubChem CID 166097338) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide
PubChem CID166097338
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC NameN-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)NC2CCC(N(C)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H30N4O2S/c1-24(2)21-14-13-20(15-22-21)28(26,27)23-18-9-11-19(12-10-18)25(3)16-17-7-5-4-6-8-17/h4-8,13-15,18-19,23H,9-12,16H2,1-3H3
InChIKeyFQLLDQRATGWUOR-UHFFFAOYSA-N
XLogP2.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide (CID 166097338) is N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide is CN(C)c1ccc(S(=O)(=O)NC2CCC(N(C)Cc3ccccc3)CC2)cn1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide?
The InChIKey is FQLLDQRATGWUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-24(2)21-14-13-20(15-22-21)28(26,27)23-18-9-11-19(12-10-18)25(3)16-17-7-5-4-6-8-17/h4-8,13-15,18-19,23H,9-12,16H2,1-3H3.
What are the key properties of N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide?
N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide has a molecular weight of 402.56 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 166097338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).