(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide

C15H16N2O3S — CID 167439579

IUPAC(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide
SMILESO=S(=O)(/N=C/N1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O3S/c18-21(19,16-12-17-8-10-20-11-9-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2/b16-12+
InChIKeyUUIJFFLOMZZFGO-FOWTUZBSSA-N
MW304.37 g/mol
LogP1.89
Rot. Bonds3

About (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide

(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide (PubChem CID 167439579) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide
PubChem CID167439579
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide
SMILESO=S(=O)(/N=C/N1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O3S/c18-21(19,16-12-17-8-10-20-11-9-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2/b16-12+
InChIKeyUUIJFFLOMZZFGO-FOWTUZBSSA-N
XLogP1.89
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 167439578
(NE)-N-benzylidenenaphthalene-1-sulfonamide
CID 15184776
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide
CID 54080915
2-naphthalen-1-ylsulfonyloxazinane
CID 114795467
N-[(4-morpholin-4-ylquinazolin-2-yl)methyl]naphthalene-1-sulfonamide
CID 25131735
2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
CID 5125278
naphthalene-1-sulfonic acid
CID 158712346
1-methylsulfonylnaphthalene
CID 11206535
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
N-morpholin-4-yl-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 155168527
azane;naphthalene-1-sulfonamide
CID 174765300

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide?
The IUPAC name of (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide (CID 167439579) is (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide.
What is the SMILES notation for (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide?
The canonical SMILES for (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide is O=S(=O)(/N=C/N1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide?
The InChIKey is UUIJFFLOMZZFGO-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-21(19,16-12-17-8-10-20-11-9-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2/b16-12+.
What are the key properties of (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide?
(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide is sourced from PubChem (CID 167439579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).