N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide

C19H21FN2O4S — CID 37498704

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCCc2ccccc2F)cc1)N1CCOCC1
InChIInChI=1S/C19H21FN2O4S/c20-18-4-2-1-3-15(18)9-10-21-27(24,25)17-7-5-16(6-8-17)19(23)22-11-13-26-14-12-22/h1-8,21H,9-14H2
InChIKeyAVXCBPIOAQLBHL-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide

N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 37498704) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID37498704
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCCc2ccccc2F)cc1)N1CCOCC1
InChIInChI=1S/C19H21FN2O4S/c20-18-4-2-1-3-15(18)9-10-21-27(24,25)17-7-5-16(6-8-17)19(23)22-11-13-26-14-12-22/h1-8,21H,9-14H2
InChIKeyAVXCBPIOAQLBHL-UHFFFAOYSA-N
XLogP1.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
[5-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228397
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886
N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 87000027
2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
CID 130296898

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide (CID 37498704) is N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCCc2ccccc2F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is AVXCBPIOAQLBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c20-18-4-2-1-3-15(18)9-10-21-27(24,25)17-7-5-16(6-8-17)19(23)22-11-13-26-14-12-22/h1-8,21H,9-14H2.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide?
N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 37498704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).