N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide

C17H18ClN3O4S — CID 135576187

IUPACN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESC/C(=N\NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+
InChIKeyACKVOYWJCCXEPI-YBFXNURJSA-N
MW395.87 g/mol
LogP2.45
Rot. Bonds5

About N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide

N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide (PubChem CID 135576187) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
PubChem CID135576187
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESC/C(=N\NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+
InChIKeyACKVOYWJCCXEPI-YBFXNURJSA-N
XLogP2.45
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Seclidemstat
CID 135565033
(E)-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)-3-(morpholinosulfonyl)benzohydrazide
CID 135743577
N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]benzohydrazide
CID 135578375
(E)-N'-(1-(5-chloro-2-hydroxyphenyl)propylidene)-3-(morpholinosulfonyl)benzohydrazide
CID 136249363
(E)-3-(2-(1-(5-chloro-2-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide
CID 136264445
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 137060470
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylsulfonylbenzamide
CID 137060471
N'-(5-chloro-2-hydroxybenzylidene)-4-(1-piperidinylsulfonyl)benzohydrazide
CID 135425022
Lsd1-IN-29
CID 136240105
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 145967223
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzamide
CID 155553274
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-methylsulfonylbenzamide
CID 136491218

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide (CID 135576187) is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide is C/C(=N\NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is ACKVOYWJCCXEPI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+.
What are the key properties of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 395.87 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 135576187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).