N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide

C20H24Cl2N2O4S — CID 661280

IUPACN-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN2CCOCC2)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C20H24Cl2N2O4S/c1-15-2-5-18(6-3-15)29(26,27)24(20-12-16(21)4-7-19(20)22)14-17(25)13-23-8-10-28-11-9-23/h2-7,12,17,25H,8-11,13-14H2,1H3
InChIKeyZUZWGFYMWNHYOL-UHFFFAOYSA-N
MW459.40 g/mol
LogP3.19
Rot. Bonds7

About N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide

N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide (PubChem CID 661280) has the molecular formula C20H24Cl2N2O4S and a molecular weight of 459.40 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide
PubChem CID661280
Molecular FormulaC20H24Cl2N2O4S
Molecular Weight459.40 g/mol
Exact Mass458.08
IUPAC NameN-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN2CCOCC2)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C20H24Cl2N2O4S/c1-15-2-5-18(6-3-15)29(26,27)24(20-12-16(21)4-7-19(20)22)14-17(25)13-23-8-10-28-11-9-23/h2-7,12,17,25H,8-11,13-14H2,1H3
InChIKeyZUZWGFYMWNHYOL-UHFFFAOYSA-N
XLogP3.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide (CID 661280) is N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(O)CN2CCOCC2)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is ZUZWGFYMWNHYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S/c1-15-2-5-18(6-3-15)29(26,27)24(20-12-16(21)4-7-19(20)22)14-17(25)13-23-8-10-28-11-9-23/h2-7,12,17,25H,8-11,13-14H2,1H3.
What are the key properties of N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide?
N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 459.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 661280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).