N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide

C17H19ClN2O3S — CID 2120968

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1
InChIInChI=1S/C17H19ClN2O3S/c1-13-3-2-4-15(11-13)24(21,22)19-16-12-14(18)5-6-17(16)20-7-9-23-10-8-20/h2-6,11-12,19H,7-10H2,1H3
InChIKeyPHEVNWXLHNNLEO-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.29
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide (PubChem CID 2120968) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide
PubChem CID2120968
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1
InChIInChI=1S/C17H19ClN2O3S/c1-13-3-2-4-15(11-13)24(21,22)19-16-12-14(18)5-6-17(16)20-7-9-23-10-8-20/h2-6,11-12,19H,7-10H2,1H3
InChIKeyPHEVNWXLHNNLEO-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
3-amino-N-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2105999
3-chloro-4-fluoro-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813491
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4852573
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 44522274
N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
CID 2100353
2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl 4-methylbenzenesulfinate
CID 1489371
2-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide
CID 2998794
2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4816803

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide (CID 2120968) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is PHEVNWXLHNNLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-3-2-4-15(11-13)24(21,22)19-16-12-14(18)5-6-17(16)20-7-9-23-10-8-20/h2-6,11-12,19H,7-10H2,1H3.
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 2120968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).