5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide

C12H18ClN3O3S — CID 106233651

IUPAC5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C12H18ClN3O3S/c1-8-6-9(13)10(14)7-11(8)20(18,19)16-5-3-2-4-12(15)17/h6-7,16H,2-5,14H2,1H3,(H2,15,17)
InChIKeyCXOFCWAUKXJBDW-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.16
Rot. Bonds7

About 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide

5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide (PubChem CID 106233651) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
PubChem CID106233651
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C12H18ClN3O3S/c1-8-6-9(13)10(14)7-11(8)20(18,19)16-5-3-2-4-12(15)17/h6-7,16H,2-5,14H2,1H3,(H2,15,17)
InChIKeyCXOFCWAUKXJBDW-UHFFFAOYSA-N
XLogP1.16
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208464
5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308667
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
CID 116645848
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
5-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454066
5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413633
5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140330

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide (CID 106233651) is 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide is Cc1cc(Cl)c(N)cc1S(=O)(=O)NCCCCC(N)=O.
What is the InChIKey of 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is CXOFCWAUKXJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-8-6-9(13)10(14)7-11(8)20(18,19)16-5-3-2-4-12(15)17/h6-7,16H,2-5,14H2,1H3,(H2,15,17).
What are the key properties of 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide?
5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 319.81 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 106233651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).