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

C20H25Cl3N2O4S — CID 6603010

IUPACN-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN2CCOCC2)c2cc(Cl)ccc2Cl)cc1.Cl
InChIInChI=1S/C20H24Cl2N2O4S.ClH/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;1H
InChIKeyVUWCZRDXVRRHFU-UHFFFAOYSA-N
MW495.86 g/mol
LogP3.61
Rot. Bonds7

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

N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 6603010) has the molecular formula C20H25Cl3N2O4S and a molecular weight of 495.86 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride
PubChem CID6603010
Molecular FormulaC20H25Cl3N2O4S
Molecular Weight495.86 g/mol
Exact Mass494.06
IUPAC NameN-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN2CCOCC2)c2cc(Cl)ccc2Cl)cc1.Cl
InChIInChI=1S/C20H24Cl2N2O4S.ClH/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;1H
InChIKeyVUWCZRDXVRRHFU-UHFFFAOYSA-N
XLogP3.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.86
LogP ≤ 53.61
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;hydrochloride?
The IUPAC name of N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride (CID 6603010) is N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(CC(O)CN2CCOCC2)c2cc(Cl)ccc2Cl)cc1.Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is VUWCZRDXVRRHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S.ClH/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;1H.
What are the key properties of N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride?
N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 495.86 g/mol, XLogP of 3.61, 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;hydrochloride is sourced from PubChem (CID 6603010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).