1-(2-iodophenyl)sulfonyl-3-propylurea

C10H13IN2O3S — CID 18987809

IUPAC1-(2-iodophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccccc1I
InChIInChI=1S/C10H13IN2O3S/c1-2-7-12-10(14)13-17(15,16)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChIKeyHTBIQRDIDVSHCY-UHFFFAOYSA-N
MW368.20 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-iodophenyl)sulfonyl-3-propylurea

1-(2-iodophenyl)sulfonyl-3-propylurea (PubChem CID 18987809) has the molecular formula C10H13IN2O3S and a molecular weight of 368.20 g/mol. Its IUPAC name is 1-(2-iodophenyl)sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-(2-iodophenyl)sulfonyl-3-propylurea
PubChem CID18987809
Molecular FormulaC10H13IN2O3S
Molecular Weight368.20 g/mol
Exact Mass367.97
IUPAC Name1-(2-iodophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccccc1I
InChIInChI=1S/C10H13IN2O3S/c1-2-7-12-10(14)13-17(15,16)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChIKeyHTBIQRDIDVSHCY-UHFFFAOYSA-N
XLogP1.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
CID 116645823
1-butyl-3-naphthalen-1-ylsulfonylurea
CID 125482961
1-butyl-3-[2-(dimethylsulfamoyl)phenyl]sulfonylurea
CID 19966722
N-ethyl-2-iodobenzenesulfonamide
CID 626580
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
CID 37475095
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
CID 134117146
4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 70880681
1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
CID 116645848
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)sulfonyl-3-propylurea?
The IUPAC name of 1-(2-iodophenyl)sulfonyl-3-propylurea (CID 18987809) is 1-(2-iodophenyl)sulfonyl-3-propylurea.
What is the SMILES notation for 1-(2-iodophenyl)sulfonyl-3-propylurea?
The canonical SMILES for 1-(2-iodophenyl)sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)sulfonyl-3-propylurea?
The InChIKey is HTBIQRDIDVSHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3S/c1-2-7-12-10(14)13-17(15,16)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13,14).
What are the key properties of 1-(2-iodophenyl)sulfonyl-3-propylurea?
1-(2-iodophenyl)sulfonyl-3-propylurea has a molecular weight of 368.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)sulfonyl-3-propylurea is sourced from PubChem (CID 18987809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).