N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide

C22H31N3O3S — CID 68951837

IUPACN-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2CN[C@@H](C)CC2CCCCC2)cn1
InChIInChI=1S/C22H31N3O3S/c1-17(14-18-8-4-3-5-9-18)23-15-19-10-6-7-11-21(19)25-29(26,27)20-12-13-22(28-2)24-16-20/h6-7,10-13,16-18,23,25H,3-5,8-9,14-15H2,1-2H3/t17-/m0/s1
InChIKeyWNLSKLDGUWCQSJ-KRWDZBQOSA-N
MW417.58 g/mol
LogP4.34
Rot. Bonds9

About N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide

N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide (PubChem CID 68951837) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide
PubChem CID68951837
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2CN[C@@H](C)CC2CCCCC2)cn1
InChIInChI=1S/C22H31N3O3S/c1-17(14-18-8-4-3-5-9-18)23-15-19-10-6-7-11-21(19)25-29(26,27)20-12-13-22(28-2)24-16-20/h6-7,10-13,16-18,23,25H,3-5,8-9,14-15H2,1-2H3/t17-/m0/s1
InChIKeyWNLSKLDGUWCQSJ-KRWDZBQOSA-N
XLogP4.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide (CID 68951837) is N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2CN[C@@H](C)CC2CCCCC2)cn1.
What is the InChIKey of N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide?
The InChIKey is WNLSKLDGUWCQSJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-17(14-18-8-4-3-5-9-18)23-15-19-10-6-7-11-21(19)25-29(26,27)20-12-13-22(28-2)24-16-20/h6-7,10-13,16-18,23,25H,3-5,8-9,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide?
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide has a molecular weight of 417.58 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 68951837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).