butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate

C17H19IN2O4S — CID 2248835

IUPACbutyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C17H19IN2O4S/c1-2-3-12-24-17(21)19-13-8-10-14(11-9-13)25(22,23)20-16-7-5-4-6-15(16)18/h4-11,20H,2-3,12H2,1H3,(H,19,21)
InChIKeyYLIJBQSWPLULCB-UHFFFAOYSA-N
MW474.32 g/mol
LogP4.44
Rot. Bonds7

About butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate

butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate (PubChem CID 2248835) has the molecular formula C17H19IN2O4S and a molecular weight of 474.32 g/mol. Its IUPAC name is butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate
PubChem CID2248835
Molecular FormulaC17H19IN2O4S
Molecular Weight474.32 g/mol
Exact Mass474.01
IUPAC Namebutyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C17H19IN2O4S/c1-2-3-12-24-17(21)19-13-8-10-14(11-9-13)25(22,23)20-16-7-5-4-6-15(16)18/h4-11,20H,2-3,12H2,1H3,(H,19,21)
InChIKeyYLIJBQSWPLULCB-UHFFFAOYSA-N
XLogP4.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate
CID 2250939
octadecyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
CID 19594257
pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate
CID 2247161
butyl N-[4-[(3-nitrophenyl)sulfamoyl]phenyl]carbamate
CID 2248452
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
butyl N-[2-[[4-(butoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 141353878
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
butyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745026
dodecyl N-phenylcarbamate
CID 521818
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911

Frequently Asked Questions

What is the IUPAC name of butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate (CID 2248835) is butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate is CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2I)cc1.
What is the InChIKey of butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is YLIJBQSWPLULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O4S/c1-2-3-12-24-17(21)19-13-8-10-14(11-9-13)25(22,23)20-16-7-5-4-6-15(16)18/h4-11,20H,2-3,12H2,1H3,(H,19,21).
What are the key properties of butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate?
butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 474.32 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 2248835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).