8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide

C20H19ClN2O3S — CID 25037325

IUPAC8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc2cccc(Cl)c12
InChIInChI=1S/C20H19ClN2O3S/c21-18-5-1-3-15-4-2-6-19(20(15)18)27(24,25)22-16-7-9-17(10-8-16)23-11-13-26-14-12-23/h1-10,22H,11-14H2
InChIKeyMMUNQDSXGHNKIT-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.13
Rot. Bonds4

About 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide

8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide (PubChem CID 25037325) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
PubChem CID25037325
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc2cccc(Cl)c12
InChIInChI=1S/C20H19ClN2O3S/c21-18-5-1-3-15-4-2-6-19(20(15)18)27(24,25)22-16-7-9-17(10-8-16)23-11-13-26-14-12-23/h1-10,22H,11-14H2
InChIKeyMMUNQDSXGHNKIT-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938967
8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3709253
N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide
CID 1118418
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
CID 110369728
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(4-nitrophenyl)piperazine;1,4-dioxane
CID 18531617
1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
CID 3836350
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 35563806

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide (CID 25037325) is 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide?
The InChIKey is MMUNQDSXGHNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c21-18-5-1-3-15-4-2-6-19(20(15)18)27(24,25)22-16-7-9-17(10-8-16)23-11-13-26-14-12-23/h1-10,22H,11-14H2.
What are the key properties of 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide?
8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide has a molecular weight of 402.90 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 25037325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).