2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine

C19H25N3O2S — CID 47023158

IUPAC2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine
SMILESCN(C1CCCCC1)S(=O)(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H25N3O2S/c1-22(17-12-6-3-7-13-17)25(23,24)21-19(16-10-4-2-5-11-16)18-14-8-9-15-20-18/h2,4-5,8-11,14-15,17,19,21H,3,6-7,12-13H2,1H3
InChIKeyGZINEYVYNVLNEK-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.27
Rot. Bonds6

About 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine

2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine (PubChem CID 47023158) has the molecular formula C19H25N3O2S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine.

Molecular Properties

Compound Name2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine
PubChem CID47023158
Molecular FormulaC19H25N3O2S
Molecular Weight359.49 g/mol
Exact Mass359.17
IUPAC Name2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine
SMILESCN(C1CCCCC1)S(=O)(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H25N3O2S/c1-22(17-12-6-3-7-13-17)25(23,24)21-19(16-10-4-2-5-11-16)18-14-8-9-15-20-18/h2,4-5,8-11,14-15,17,19,21H,3,6-7,12-13H2,1H3
InChIKeyGZINEYVYNVLNEK-UHFFFAOYSA-N
XLogP3.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine
CID 136573543
(2S)-2-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-1-sulfonamide
CID 98751031
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine
CID 129446491
(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide
CID 98690603
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
CID 62088543
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894

Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine?
The IUPAC name of 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine (CID 47023158) is 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine.
What is the SMILES notation for 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine?
The canonical SMILES for 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine is CN(C1CCCCC1)S(=O)(=O)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine?
The InChIKey is GZINEYVYNVLNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-22(17-12-6-3-7-13-17)25(23,24)21-19(16-10-4-2-5-11-16)18-14-8-9-15-20-18/h2,4-5,8-11,14-15,17,19,21H,3,6-7,12-13H2,1H3.
What are the key properties of 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine?
2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine has a molecular weight of 359.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine is sourced from PubChem (CID 47023158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).