N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide

C26H23ClN2O4S — CID 46770765

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN2O4S/c1-2-25(33-23-14-7-18-5-3-4-6-19(18)17-23)26(30)28-21-12-15-24(16-13-21)34(31,32)29-22-10-8-20(27)9-11-22/h3-17,25,29H,2H2,1H3,(H,28,30)
InChIKeyHLGWHVJAWZWKIY-UHFFFAOYSA-N
MW495.00 g/mol
LogP6.09
Rot. Bonds8

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 46770765) has the molecular formula C26H23ClN2O4S and a molecular weight of 495.00 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
PubChem CID46770765
Molecular FormulaC26H23ClN2O4S
Molecular Weight495.00 g/mol
Exact Mass494.11
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN2O4S/c1-2-25(33-23-14-7-18-5-3-4-6-19(18)17-23)26(30)28-21-12-15-24(16-13-21)34(31,32)29-22-10-8-20(27)9-11-22/h3-17,25,29H,2H2,1H3,(H,28,30)
InChIKeyHLGWHVJAWZWKIY-UHFFFAOYSA-N
XLogP6.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 17106989
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 94864467
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 46771281
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076240
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 94015658
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide (CID 46770765) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is HLGWHVJAWZWKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4S/c1-2-25(33-23-14-7-18-5-3-4-6-19(18)17-23)26(30)28-21-12-15-24(16-13-21)34(31,32)29-22-10-8-20(27)9-11-22/h3-17,25,29H,2H2,1H3,(H,28,30).
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 495.00 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 46770765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).