N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C17H17ClN2O4S — CID 26583510

IUPACN-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CCOCC1
InChIInChI=1S/C17H17ClN2O4S/c18-14-4-6-15(7-5-14)19-25(22,23)16-3-1-2-13(12-16)17(21)20-8-10-24-11-9-20/h1-7,12,19H,8-11H2
InChIKeyCQCAOGASCIQROL-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.61
Rot. Bonds4

About N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 26583510) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID26583510
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CCOCC1
InChIInChI=1S/C17H17ClN2O4S/c18-14-4-6-15(7-5-14)19-25(22,23)16-3-1-2-13(12-16)17(21)20-8-10-24-11-9-20/h1-7,12,19H,8-11H2
InChIKeyCQCAOGASCIQROL-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
N-(4-chlorophenyl)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26693557
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063341
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 26583510) is N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is CQCAOGASCIQROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-14-4-6-15(7-5-14)19-25(22,23)16-3-1-2-13(12-16)17(21)20-8-10-24-11-9-20/h1-7,12,19H,8-11H2.
What are the key properties of N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 26583510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).