N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide

C20H23FN2O4S — CID 31118008

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-27-19-11-6-15(21)14-18(19)20(24)22-16-7-9-17(10-8-16)28(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyKSFRLPAJQQXENH-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.65
Rot. Bonds5

About N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide (PubChem CID 31118008) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
PubChem CID31118008
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-27-19-11-6-15(21)14-18(19)20(24)22-16-7-9-17(10-8-16)28(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyKSFRLPAJQQXENH-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882654
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 19257937
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide (CID 31118008) is N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is KSFRLPAJQQXENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-27-19-11-6-15(21)14-18(19)20(24)22-16-7-9-17(10-8-16)28(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 406.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 31118008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).