N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C18H15ClN2O4S2 — CID 56581239

IUPACN-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C18H15ClN2O4S2/c19-13-6-7-17(22)16(10-13)21-18(23)12-3-1-5-15(9-12)27(24,25)20-11-14-4-2-8-26-14/h1-10,20,22H,11H2,(H,21,23)
InChIKeyJIGZRXSLTXYOAT-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.84
Rot. Bonds6

About N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 56581239) has the molecular formula C18H15ClN2O4S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID56581239
Molecular FormulaC18H15ClN2O4S2
Molecular Weight422.92 g/mol
Exact Mass422.02
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C18H15ClN2O4S2/c19-13-6-7-17(22)16(10-13)21-18(23)12-3-1-5-15(9-12)27(24,25)20-11-14-4-2-8-26-14/h1-10,20,22H,11H2,(H,21,23)
InChIKeyJIGZRXSLTXYOAT-UHFFFAOYSA-N
XLogP3.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26717987
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 56581143
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60576311
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 17439047
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
3-[(pyridine-3-carbonylamino)carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35017463
N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 37261170
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 56581239) is N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is JIGZRXSLTXYOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S2/c19-13-6-7-17(22)16(10-13)21-18(23)12-3-1-5-15(9-12)27(24,25)20-11-14-4-2-8-26-14/h1-10,20,22H,11H2,(H,21,23).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 422.92 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 56581239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).