N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide

C17H18FNO4S — CID 41273900

IUPACN-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-23-15-8-10-16(11-9-15)24(21,22)12-2-3-17(20)19-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H,19,20)
InChIKeyNTXSGDSMDKPDCM-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.03
Rot. Bonds7

About N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide

N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide (PubChem CID 41273900) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
PubChem CID41273900
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-23-15-8-10-16(11-9-15)24(21,22)12-2-3-17(20)19-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H,19,20)
InChIKeyNTXSGDSMDKPDCM-UHFFFAOYSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
CID 54774396
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8502565
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
4-(4-methoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 41273714
methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
CID 41273904

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide?
The IUPAC name of N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide (CID 41273900) is N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide is COc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide?
The InChIKey is NTXSGDSMDKPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-23-15-8-10-16(11-9-15)24(21,22)12-2-3-17(20)19-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide?
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide has a molecular weight of 351.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide is sourced from PubChem (CID 41273900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).