N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide

C19H21ClN2O4S — CID 118695528

IUPACN-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1
InChIInChI=1S/C19H21ClN2O4S/c1-22(15-6-2-3-7-15)27(25,26)16-8-4-5-13(11-16)19(24)21-17-12-14(20)9-10-18(17)23/h4-5,8-12,15,23H,2-3,6-7H2,1H3,(H,21,24)
InChIKeyMSYGVBVYHRTLNA-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.86
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide

N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide (PubChem CID 118695528) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
PubChem CID118695528
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1
InChIInChI=1S/C19H21ClN2O4S/c1-22(15-6-2-3-7-15)27(25,26)16-8-4-5-13(11-16)19(24)21-17-12-14(20)9-10-18(17)23/h4-5,8-12,15,23H,2-3,6-7H2,1H3,(H,21,24)
InChIKeyMSYGVBVYHRTLNA-UHFFFAOYSA-N
XLogP3.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 26094766
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide
CID 118695333
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
CID 120687513
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]benzamide
CID 55528915
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119515813
3-chloro-N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4940489

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide (CID 118695528) is N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide is CN(C1CCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide?
The InChIKey is MSYGVBVYHRTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-22(15-6-2-3-7-15)27(25,26)16-8-4-5-13(11-16)19(24)21-17-12-14(20)9-10-18(17)23/h4-5,8-12,15,23H,2-3,6-7H2,1H3,(H,21,24).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide?
N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide has a molecular weight of 408.91 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 118695528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).