N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide

C17H19N3O3S2 — CID 97188968

IUPACN-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide
SMILESO=C(NCc1cccnc1)c1cccc(S(=O)(=O)N[C@@H]2CCSC2)c1
InChIInChI=1S/C17H19N3O3S2/c21-17(19-11-13-3-2-7-18-10-13)14-4-1-5-16(9-14)25(22,23)20-15-6-8-24-12-15/h1-5,7,9-10,15,20H,6,8,11-12H2,(H,19,21)/t15-/m1/s1
InChIKeyURANAWGRNMQCEG-OAHLLOKOSA-N
MW377.49 g/mol
LogP1.80
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide

N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide (PubChem CID 97188968) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide
PubChem CID97188968
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide
SMILESO=C(NCc1cccnc1)c1cccc(S(=O)(=O)N[C@@H]2CCSC2)c1
InChIInChI=1S/C17H19N3O3S2/c21-17(19-11-13-3-2-7-18-10-13)14-4-1-5-16(9-14)25(22,23)20-15-6-8-24-12-15/h1-5,7,9-10,15,20H,6,8,11-12H2,(H,19,21)/t15-/m1/s1
InChIKeyURANAWGRNMQCEG-OAHLLOKOSA-N
XLogP1.80
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 97115789
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 109064543
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide
CID 72866477
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42848524

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide (CID 97188968) is N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide is O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N[C@@H]2CCSC2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide?
The InChIKey is URANAWGRNMQCEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c21-17(19-11-13-3-2-7-18-10-13)14-4-1-5-16(9-14)25(22,23)20-15-6-8-24-12-15/h1-5,7,9-10,15,20H,6,8,11-12H2,(H,19,21)/t15-/m1/s1.
What are the key properties of N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide?
N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-[[(3R)-thiolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 97188968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).