N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide

C20H23FN2O3S — CID 2280028

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C20H23FN2O3S/c21-18-12-6-7-13-19(18)23(27(25,26)17-10-4-3-5-11-17)16-20(24)22-14-8-1-2-9-15-22/h3-7,10-13H,1-2,8-9,14-16H2
InChIKeyZBMMWBHOUOEOPK-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 2280028) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID2280028
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C20H23FN2O3S/c21-18-12-6-7-13-19(18)23(27(25,26)17-10-4-3-5-11-17)16-20(24)22-14-8-1-2-9-15-22/h3-7,10-13H,1-2,8-9,14-16H2
InChIKeyZBMMWBHOUOEOPK-UHFFFAOYSA-N
XLogP3.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
N-(2,4-difluorophenyl)-2-[(phenylsulfonyl)amino]acetamide
CID 900314
2-Azepan-1-yl-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
CID 1152663
5-[(2,4-difluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814935
5-[(3-fluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814937
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N,N-Diethyl-2-[(4-ethyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 10475401
3-(4-Fluoro-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10616695
N,N-Diethyl-2-[(3-fluoro-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 44580809
N,N-Diethyl-2-[(toluene-2-sulfonyl)-p-tolyl-amino]-acetamide
CID 44581169
N,N-Diethyl-2-[(toluene-3-sulfonyl)-p-tolyl-amino]-acetamide
CID 44581172
N-[4-(aminosulfonyl)phenyl]-2-(1-piperidinyl)acetamide
CID 661254

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide (CID 2280028) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is ZBMMWBHOUOEOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-18-12-6-7-13-19(18)23(27(25,26)17-10-4-3-5-11-17)16-20(24)22-14-8-1-2-9-15-22/h3-7,10-13H,1-2,8-9,14-16H2.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 2280028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).