1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea

C11H16ClN3O3S — CID 116645848

IUPAC1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1cc(N)c(Cl)cc1C
InChIInChI=1S/C11H16ClN3O3S/c1-3-4-14-11(16)15-19(17,18)10-6-9(13)8(12)5-7(10)2/h5-6H,3-4,13H2,1-2H3,(H2,14,15,16)
InChIKeyKPDXMUZKMSXGDP-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.63
Rot. Bonds4

About 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea

1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea (PubChem CID 116645848) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
PubChem CID116645848
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1cc(N)c(Cl)cc1C
InChIInChI=1S/C11H16ClN3O3S/c1-3-4-14-11(16)15-19(17,18)10-6-9(13)8(12)5-7(10)2/h5-6H,3-4,13H2,1-2H3,(H2,14,15,16)
InChIKeyKPDXMUZKMSXGDP-UHFFFAOYSA-N
XLogP1.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-chloro-4-methylphenyl)sulfonyl-3-butylurea
CID 116645763
1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea
CID 116645815
1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-3-propylurea
CID 116645883
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea
CID 114626310
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751
5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
CID 106233651
5-amino-4-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107864496
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
CID 116645823
1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809
5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308667
5-amino-4-chloro-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466280

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea?
The IUPAC name of 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea (CID 116645848) is 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea.
What is the SMILES notation for 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea?
The canonical SMILES for 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1cc(N)c(Cl)cc1C.
What is the InChIKey of 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea?
The InChIKey is KPDXMUZKMSXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-3-4-14-11(16)15-19(17,18)10-6-9(13)8(12)5-7(10)2/h5-6H,3-4,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea?
1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea has a molecular weight of 305.79 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea is sourced from PubChem (CID 116645848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).