4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide

C21H20ClNO4S — CID 18586059

IUPAC4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H20ClNO4S/c1-27-20-13-12-19(17-5-2-3-6-18(17)20)23-21(24)7-4-14-28(25,26)16-10-8-15(22)9-11-16/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,23,24)
InChIKeyPAOAYHBTEXXUGD-UHFFFAOYSA-N
MW417.91 g/mol
LogP4.69
Rot. Bonds7

About 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide

4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide (PubChem CID 18586059) has the molecular formula C21H20ClNO4S and a molecular weight of 417.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide
PubChem CID18586059
Molecular FormulaC21H20ClNO4S
Molecular Weight417.91 g/mol
Exact Mass417.08
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H20ClNO4S/c1-27-20-13-12-19(17-5-2-3-6-18(17)20)23-21(24)7-4-14-28(25,26)16-10-8-15(22)9-11-16/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,23,24)
InChIKeyPAOAYHBTEXXUGD-UHFFFAOYSA-N
XLogP4.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methoxynaphthalen-1-yl)benzamide
CID 121044893
N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide
CID 8700318
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide
CID 4090192
3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
CID 26898062
4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41274662
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
methyl 4-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-methylbenzoate
CID 38090367
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)sulfonylpropanamide
CID 8763575

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide (CID 18586059) is 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide is COc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide?
The InChIKey is PAOAYHBTEXXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4S/c1-27-20-13-12-19(17-5-2-3-6-18(17)20)23-21(24)7-4-14-28(25,26)16-10-8-15(22)9-11-16/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide?
4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide has a molecular weight of 417.91 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide is sourced from PubChem (CID 18586059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).