N-(4-iodophenyl)-4-(methanesulfonamido)benzamide

C14H13IN2O3S — CID 1289280

IUPACN-(4-iodophenyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C14H13IN2O3S/c1-21(19,20)17-13-6-2-10(3-7-13)14(18)16-12-8-4-11(15)5-9-12/h2-9,17H,1H3,(H,16,18)
InChIKeyMDONZSNDXFDOEW-UHFFFAOYSA-N
MW416.24 g/mol
LogP2.91
Rot. Bonds4

About N-(4-iodophenyl)-4-(methanesulfonamido)benzamide

N-(4-iodophenyl)-4-(methanesulfonamido)benzamide (PubChem CID 1289280) has the molecular formula C14H13IN2O3S and a molecular weight of 416.24 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(methanesulfonamido)benzamide
PubChem CID1289280
Molecular FormulaC14H13IN2O3S
Molecular Weight416.24 g/mol
Exact Mass415.97
IUPAC NameN-(4-iodophenyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C14H13IN2O3S/c1-21(19,20)17-13-6-2-10(3-7-13)14(18)16-12-8-4-11(15)5-9-12/h2-9,17H,1H3,(H,16,18)
InChIKeyMDONZSNDXFDOEW-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 52.91
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

4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
CID 51179900
3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoic acid
CID 108766490

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(4-iodophenyl)-4-(methanesulfonamido)benzamide (CID 1289280) is N-(4-iodophenyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(4-iodophenyl)-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-(methanesulfonamido)benzamide?
The InChIKey is MDONZSNDXFDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3S/c1-21(19,20)17-13-6-2-10(3-7-13)14(18)16-12-8-4-11(15)5-9-12/h2-9,17H,1H3,(H,16,18).
What are the key properties of N-(4-iodophenyl)-4-(methanesulfonamido)benzamide?
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide has a molecular weight of 416.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 1289280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).