N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide

C21H19ClN2O4S — CID 4877853

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc2ccccc12
InChIInChI=1S/C21H19ClN2O4S/c22-19-9-8-16(14-20(19)29(26,27)24-10-12-28-13-11-24)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,23,25)
InChIKeyQGNNSBSMEXYMLW-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.77
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide (PubChem CID 4877853) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide
PubChem CID4877853
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc2ccccc12
InChIInChI=1S/C21H19ClN2O4S/c22-19-9-8-16(14-20(19)29(26,27)24-10-12-28-13-11-24)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,23,25)
InChIKeyQGNNSBSMEXYMLW-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
CID 4057923
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370
N-[4-(benzoylamino)phenyl]-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1355582
N-(4-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548697
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 4207677
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4853170
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4877474
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 4883568
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 16235315
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 16235321
3-chloro-N-(4-methyl-3-(morpholinosulfonyl)phenyl)benzamide
CID 25434865

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide (CID 4877853) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc2ccccc12.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide?
The InChIKey is QGNNSBSMEXYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c22-19-9-8-16(14-20(19)29(26,27)24-10-12-28-13-11-24)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,23,25).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide has a molecular weight of 430.91 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 4877853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).