N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide

C17H16ClFN2O4S — CID 39825155

IUPACN-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C17H16ClFN2O4S/c18-15-11-13(3-6-16(15)19)20-26(23,24)14-4-1-12(2-5-14)17(22)21-7-9-25-10-8-21/h1-6,11,20H,7-10H2
InChIKeyBBKDOVVZPKCVTH-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.75
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide

N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 39825155) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID39825155
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C17H16ClFN2O4S/c18-15-11-13(3-6-16(15)19)20-26(23,24)14-4-1-12(2-5-14)17(22)21-7-9-25-10-8-21/h1-6,11,20H,7-10H2
InChIKeyBBKDOVVZPKCVTH-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
CID 130296898
3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 43010282
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26590719
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide (CID 39825155) is N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)N1CCOCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is BBKDOVVZPKCVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c18-15-11-13(3-6-16(15)19)20-26(23,24)14-4-1-12(2-5-14)17(22)21-7-9-25-10-8-21/h1-6,11,20H,7-10H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 398.84 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 39825155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).