3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide

C19H20ClN3O5S — CID 55585755

IUPAC3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C19H20ClN3O5S/c20-13-8-9-17(24)16(11-13)19(26)22-21-18(25)12-4-3-7-15(10-12)29(27,28)23-14-5-1-2-6-14/h3-4,7-11,14,23-24H,1-2,5-6H2,(H,21,25)(H,22,26)
InChIKeyMRMQNQFHIFEFLM-UHFFFAOYSA-N
MW437.91 g/mol
LogP2.34
Rot. Bonds5

About 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide

3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide (PubChem CID 55585755) has the molecular formula C19H20ClN3O5S and a molecular weight of 437.91 g/mol. Its IUPAC name is 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide
PubChem CID55585755
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.91 g/mol
Exact Mass437.08
IUPAC Name3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C19H20ClN3O5S/c20-13-8-9-17(24)16(11-13)19(26)22-21-18(25)12-4-3-7-15(10-12)29(27,28)23-14-5-1-2-6-14/h3-4,7-11,14,23-24H,1-2,5-6H2,(H,21,25)(H,22,26)
InChIKeyMRMQNQFHIFEFLM-UHFFFAOYSA-N
XLogP2.34
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27698212
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519
N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27689934
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55571075
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
CID 56570757
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide (CID 55585755) is 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide is O=C(NNC(=O)c1cc(Cl)ccc1O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide?
The InChIKey is MRMQNQFHIFEFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5S/c20-13-8-9-17(24)16(11-13)19(26)22-21-18(25)12-4-3-7-15(10-12)29(27,28)23-14-5-1-2-6-14/h3-4,7-11,14,23-24H,1-2,5-6H2,(H,21,25)(H,22,26).
What are the key properties of 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide?
3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide has a molecular weight of 437.91 g/mol, XLogP of 2.34, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 55585755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).