N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide

C16H15IN2O3S — CID 175183969

IUPACN-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)C2CC2)cc1)c1ccccc1I
InChIInChI=1S/C16H15IN2O3S/c17-15-4-2-1-3-14(15)16(20)18-11-5-7-12(8-6-11)19-23(21,22)13-9-10-13/h1-8,13,19H,9-10H2,(H,18,20)
InChIKeyACKJZXWIDPSXJY-UHFFFAOYSA-N
MW442.28 g/mol
LogP3.45
Rot. Bonds5

About N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide

N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide (PubChem CID 175183969) has the molecular formula C16H15IN2O3S and a molecular weight of 442.28 g/mol. Its IUPAC name is N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide
PubChem CID175183969
Molecular FormulaC16H15IN2O3S
Molecular Weight442.28 g/mol
Exact Mass441.98
IUPAC NameN-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)C2CC2)cc1)c1ccccc1I
InChIInChI=1S/C16H15IN2O3S/c17-15-4-2-1-3-14(15)16(20)18-11-5-7-12(8-6-11)19-23(21,22)13-9-10-13/h1-8,13,19H,9-10H2,(H,18,20)
InChIKeyACKJZXWIDPSXJY-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 53.45
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

2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925
2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729880
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396701
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide
CID 126415096

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide (CID 175183969) is N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide is O=C(Nc1ccc(NS(=O)(=O)C2CC2)cc1)c1ccccc1I.
What is the InChIKey of N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide?
The InChIKey is ACKJZXWIDPSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O3S/c17-15-4-2-1-3-14(15)16(20)18-11-5-7-12(8-6-11)19-23(21,22)13-9-10-13/h1-8,13,19H,9-10H2,(H,18,20).
What are the key properties of N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide?
N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide has a molecular weight of 442.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide is sourced from PubChem (CID 175183969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).