N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C19H23FN2O4S — CID 2428178

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N1CCCCCC1
InChIInChI=1S/C19H23FN2O4S/c20-17-9-3-4-10-18(17)27(24,25)22(14-16-8-7-13-26-16)15-19(23)21-11-5-1-2-6-12-21/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2
InChIKeyRBBZEPGRCYTPBG-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2428178) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2428178
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N1CCCCCC1
InChIInChI=1S/C19H23FN2O4S/c20-17-9-3-4-10-18(17)27(24,25)22(14-16-8-7-13-26-16)15-19(23)21-11-5-1-2-6-12-21/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2
InChIKeyRBBZEPGRCYTPBG-UHFFFAOYSA-N
XLogP3.01
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylacetamide
CID 32888554
4-ethoxy-N-(furan-2-ylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 29282469
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113150299
2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60627449
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 4883752
N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 167942455
2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 82326895
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 39984976
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
methyl 2-[furan-2-ylmethyl-(2-nitrophenyl)sulfonylamino]acetate
CID 50894542

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2428178) is N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is RBBZEPGRCYTPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c20-17-9-3-4-10-18(17)27(24,25)22(14-16-8-7-13-26-16)15-19(23)21-11-5-1-2-6-12-21/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2428178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).