N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C18H18ClFN2O4S — CID 2991987

IUPACN-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18ClFN2O4S/c19-16-12-14(6-7-17(16)20)22(13-18(23)21-8-10-26-11-9-21)27(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyLNEDEQKMJIZILL-UHFFFAOYSA-N
MW412.87 g/mol
LogP2.53
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 2991987) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID2991987
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18ClFN2O4S/c19-16-12-14(6-7-17(16)20)22(13-18(23)21-8-10-26-11-9-21)27(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyLNEDEQKMJIZILL-UHFFFAOYSA-N
XLogP2.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1100086
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1239009
N-(3,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 51345243
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 43900921
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1120526
N-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 28589502
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 51345016
N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1108098
3-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]propanoic acid
CID 50893221
N-(3-chloro-4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 967280
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126322952

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 2991987) is N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is LNEDEQKMJIZILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c19-16-12-14(6-7-17(16)20)22(13-18(23)21-8-10-26-11-9-21)27(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 412.87 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 2991987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).