N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C17H19N3O4S — CID 110677176

IUPACN-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)ccn1
InChIInChI=1S/C17H19N3O4S/c1-13-11-15(5-6-18-13)19-25(22,23)16-4-2-3-14(12-16)17(21)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyOXSDIGKLIQOBBW-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.66
Rot. Bonds4

About N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 110677176) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID110677176
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)ccn1
InChIInChI=1S/C17H19N3O4S/c1-13-11-15(5-6-18-13)19-25(22,23)16-4-2-3-14(12-16)17(21)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyOXSDIGKLIQOBBW-UHFFFAOYSA-N
XLogP1.66
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide 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

N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 109063891
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 68531720
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
methyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946892

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 110677176) is N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is OXSDIGKLIQOBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13-11-15(5-6-18-13)19-25(22,23)16-4-2-3-14(12-16)17(21)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110677176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).