1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea

C9H11ClIN3O3S — CID 112837932

IUPAC1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea
SMILESNS(=O)(=O)CCNC(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C9H11ClIN3O3S/c10-7-5-6(11)1-2-8(7)14-9(15)13-3-4-18(12,16)17/h1-2,5H,3-4H2,(H2,12,16,17)(H2,13,14,15)
InChIKeyMIUXBYNEMOGWSF-UHFFFAOYSA-N
MW403.63 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea

1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea (PubChem CID 112837932) has the molecular formula C9H11ClIN3O3S and a molecular weight of 403.63 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea
PubChem CID112837932
Molecular FormulaC9H11ClIN3O3S
Molecular Weight403.63 g/mol
Exact Mass402.93
IUPAC Name1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea
SMILESNS(=O)(=O)CCNC(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C9H11ClIN3O3S/c10-7-5-6(11)1-2-8(7)14-9(15)13-3-4-18(12,16)17/h1-2,5H,3-4H2,(H2,12,16,17)(H2,13,14,15)
InChIKeyMIUXBYNEMOGWSF-UHFFFAOYSA-N
XLogP1.35
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.63
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113224209
methyl 6-[(2-chloro-4-iodophenyl)carbamoylamino]hexanoate
CID 78890631
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
CID 43713313
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
(2R)-2-[(2-chloro-4-iodophenyl)carbamoylamino]butanedioic acid
CID 107605873
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
5-iodo-2-[2-(methylsulfamoyl)ethylcarbamoylamino]benzoic acid
CID 106340545
(2R)-2-amino-N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 61180487
N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 55677538
2-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)acetamide
CID 43713303

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea (CID 112837932) is 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea is NS(=O)(=O)CCNC(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea?
The InChIKey is MIUXBYNEMOGWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClIN3O3S/c10-7-5-6(11)1-2-8(7)14-9(15)13-3-4-18(12,16)17/h1-2,5H,3-4H2,(H2,12,16,17)(H2,13,14,15).
What are the key properties of 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea?
1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea has a molecular weight of 403.63 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea is sourced from PubChem (CID 112837932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).