N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine

C24H21ClN4O3S2 — CID 4083943

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine
SMILESO=S(=O)(c1ccc(Cl)c(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1)N1CCOCC1
InChIInChI=1S/C24H21ClN4O3S2/c25-21-9-8-20(34(30,31)28-10-12-32-13-11-28)15-22(21)26-16-18-17-29(19-5-2-1-3-6-19)27-24(18)23-7-4-14-33-23/h1-9,14-17H,10-13H2/b26-16+
InChIKeyHIWPWVUQQBIWDT-WGOQTCKBSA-N
MW513.04 g/mol
LogP5.03
Rot. Bonds6

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine (PubChem CID 4083943) has the molecular formula C24H21ClN4O3S2 and a molecular weight of 513.04 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine
PubChem CID4083943
Molecular FormulaC24H21ClN4O3S2
Molecular Weight513.04 g/mol
Exact Mass512.07
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine
SMILESO=S(=O)(c1ccc(Cl)c(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1)N1CCOCC1
InChIInChI=1S/C24H21ClN4O3S2/c25-21-9-8-20(34(30,31)28-10-12-32-13-11-28)15-22(21)26-16-18-17-29(19-5-2-1-3-6-19)27-24(18)23-7-4-14-33-23/h1-9,14-17H,10-13H2/b26-16+
InChIKeyHIWPWVUQQBIWDT-WGOQTCKBSA-N
XLogP5.03
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.04
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 75535836
2,4,6-trichloro-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]aniline
CID 4555305
2,4-dichloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 126372269
8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 42351890
(Z)-2-(benzenesulfonyl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 18806473
(E)-2-(benzenesulfonyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile
CID 34307593
2-(morpholine-4-carbonyl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 3823160
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 3559747
1-phenyl-3-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 56727062
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
2,4-dichloro-N-[3-(2-morpholin-4-ylethylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
CID 4292798
N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide;hydrochloride
CID 73242598

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine (CID 4083943) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine is O=S(=O)(c1ccc(Cl)c(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1)N1CCOCC1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine?
The InChIKey is HIWPWVUQQBIWDT-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H21ClN4O3S2/c25-21-9-8-20(34(30,31)28-10-12-32-13-11-28)15-22(21)26-16-18-17-29(19-5-2-1-3-6-19)27-24(18)23-7-4-14-33-23/h1-9,14-17H,10-13H2/b26-16+.
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine has a molecular weight of 513.04 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine is sourced from PubChem (CID 4083943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).