N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride

C19H23Cl2N3O4S — CID 6603094

IUPACN-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2cc(NC(=O)CN3CCOCC3)ccc2Cl)cc1.Cl
InChIInChI=1S/C19H22ClN3O4S.ClH/c1-14-2-5-16(6-3-14)28(25,26)22-18-12-15(4-7-17(18)20)21-19(24)13-23-8-10-27-11-9-23;/h2-7,12,22H,8-11,13H2,1H3,(H,21,24);1H
InChIKeyCCBBTEAYQAIIKI-UHFFFAOYSA-N
MW460.38 g/mol
LogP3.14
Rot. Bonds6

About N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride

N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 6603094) has the molecular formula C19H23Cl2N3O4S and a molecular weight of 460.38 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID6603094
Molecular FormulaC19H23Cl2N3O4S
Molecular Weight460.38 g/mol
Exact Mass459.08
IUPAC NameN-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2cc(NC(=O)CN3CCOCC3)ccc2Cl)cc1.Cl
InChIInChI=1S/C19H22ClN3O4S.ClH/c1-14-2-5-16(6-3-14)28(25,26)22-18-12-15(4-7-17(18)20)21-19(24)13-23-8-10-27-11-9-23;/h2-7,12,22H,8-11,13H2,1H3,(H,21,24);1H
InChIKeyCCBBTEAYQAIIKI-UHFFFAOYSA-N
XLogP3.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride (CID 6603094) is N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride is Cc1ccc(S(=O)(=O)Nc2cc(NC(=O)CN3CCOCC3)ccc2Cl)cc1.Cl.
What is the InChIKey of N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is CCBBTEAYQAIIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S.ClH/c1-14-2-5-16(6-3-14)28(25,26)22-18-12-15(4-7-17(18)20)21-19(24)13-23-8-10-27-11-9-23;/h2-7,12,22H,8-11,13H2,1H3,(H,21,24);1H.
What are the key properties of N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride?
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 460.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 6603094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).