3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide

C17H20ClFN2O4S — CID 46457742

IUPAC3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2cccc(Cl)c2F)N2CCOCC2)o1
InChIInChI=1S/C17H20ClFN2O4S/c1-12-5-6-15(25-12)14(21-7-9-24-10-8-21)11-20-26(22,23)16-4-2-3-13(18)17(16)19/h2-6,14,20H,7-11H2,1H3
InChIKeyKIZFWMNXYJECSQ-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.73
Rot. Bonds6

About 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide

3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 46457742) has the molecular formula C17H20ClFN2O4S and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID46457742
Molecular FormulaC17H20ClFN2O4S
Molecular Weight402.88 g/mol
Exact Mass402.08
IUPAC Name3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2cccc(Cl)c2F)N2CCOCC2)o1
InChIInChI=1S/C17H20ClFN2O4S/c1-12-5-6-15(25-12)14(21-7-9-24-10-8-21)11-20-26(22,23)16-4-2-3-13(18)17(16)19/h2-6,14,20H,7-11H2,1H3
InChIKeyKIZFWMNXYJECSQ-UHFFFAOYSA-N
XLogP2.73
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 46657947
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide
CID 55461406
N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509260
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine
CID 51946495
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 46457742) is 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide is Cc1ccc(C(CNS(=O)(=O)c2cccc(Cl)c2F)N2CCOCC2)o1.
What is the InChIKey of 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is KIZFWMNXYJECSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O4S/c1-12-5-6-15(25-12)14(21-7-9-24-10-8-21)11-20-26(22,23)16-4-2-3-13(18)17(16)19/h2-6,14,20H,7-11H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 402.88 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 46457742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).