N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide

C26H23ClN2O4S — CID 46771281

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN2O4S/c1-2-24(33-25-9-5-7-18-6-3-4-8-23(18)25)26(30)28-20-14-16-22(17-15-20)34(31,32)29-21-12-10-19(27)11-13-21/h3-17,24,29H,2H2,1H3,(H,28,30)
InChIKeyGNBZZYVNFIMLDB-UHFFFAOYSA-N
MW495.00 g/mol
LogP6.09
Rot. Bonds8

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 46771281) 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-1-yloxybutanamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
PubChem CID46771281
Molecular FormulaC26H23ClN2O4S
Molecular Weight495.00 g/mol
Exact Mass494.11
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN2O4S/c1-2-24(33-25-9-5-7-18-6-3-4-8-23(18)25)26(30)28-20-14-16-22(17-15-20)34(31,32)29-21-12-10-19(27)11-13-21/h3-17,24,29H,2H2,1H3,(H,28,30)
InChIKeyGNBZZYVNFIMLDB-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

(2R)-2-naphthalen-1-yloxy-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 92681695
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 46770765
(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 92679459
(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
CID 30396463
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
CID 92678428
(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
CID 92683938
(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
(2S)-2-(2-chlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 28635319

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide (CID 46771281) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is GNBZZYVNFIMLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4S/c1-2-24(33-25-9-5-7-18-6-3-4-8-23(18)25)26(30)28-20-14-16-22(17-15-20)34(31,32)29-21-12-10-19(27)11-13-21/h3-17,24,29H,2H2,1H3,(H,28,30).
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-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-1-yloxybutanamide is sourced from PubChem (CID 46771281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).