1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea

C20H21ClF2N4O4S2 — CID 6107310

IUPAC1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
SMILESC/C(=N/NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C20H21ClF2N4O4S2/c1-13(15-4-2-3-5-18(15)31-19(22)23)25-26-20(32)24-17-12-14(6-7-16(17)21)33(28,29)27-8-10-30-11-9-27/h2-7,12,19H,8-11H2,1H3,(H2,24,26,32)/b25-13-
InChIKeyHKXJPMJLYJYJOC-MXAYSNPKSA-N
MW519.00 g/mol
LogP3.67
Rot. Bonds7

About 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea

1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea (PubChem CID 6107310) has the molecular formula C20H21ClF2N4O4S2 and a molecular weight of 519.00 g/mol. Its IUPAC name is 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
PubChem CID6107310
Molecular FormulaC20H21ClF2N4O4S2
Molecular Weight519.00 g/mol
Exact Mass518.07
IUPAC Name1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
SMILESC/C(=N/NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C20H21ClF2N4O4S2/c1-13(15-4-2-3-5-18(15)31-19(22)23)25-26-20(32)24-17-12-14(6-7-16(17)21)33(28,29)27-8-10-30-11-9-27/h2-7,12,19H,8-11H2,1H3,(H2,24,26,32)/b25-13-
InChIKeyHKXJPMJLYJYJOC-MXAYSNPKSA-N
XLogP3.67
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.00
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2R)-pentan-2-yl]thiourea
CID 8618275
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-methylpiperidine-1-carbothioamide
CID 8617841
N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide
CID 108520247
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea
CID 8625090
1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)thiourea
CID 4019111
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-[2-(difluoromethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 3904128
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
CID 3791906
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911015
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4641528
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea?
The IUPAC name of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea (CID 6107310) is 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea.
What is the SMILES notation for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea?
The canonical SMILES for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea is C/C(=N/NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea?
The InChIKey is HKXJPMJLYJYJOC-MXAYSNPKSA-N. The full InChI is InChI=1S/C20H21ClF2N4O4S2/c1-13(15-4-2-3-5-18(15)31-19(22)23)25-26-20(32)24-17-12-14(6-7-16(17)21)33(28,29)27-8-10-30-11-9-27/h2-7,12,19H,8-11H2,1H3,(H2,24,26,32)/b25-13-.
What are the key properties of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea?
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea has a molecular weight of 519.00 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea is sourced from PubChem (CID 6107310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).