N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide

C15H15IN2O3S — CID 31489648

IUPACN-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1I
InChIInChI=1S/C15H15IN2O3S/c1-10-6-7-12(9-14(10)16)17-15(19)11-4-3-5-13(8-11)18-22(2,20)21/h3-9,18H,1-2H3,(H,17,19)
InChIKeyLBQXVZBEUVRDLJ-UHFFFAOYSA-N
MW430.27 g/mol
LogP3.22
Rot. Bonds4

About N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide

N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide (PubChem CID 31489648) has the molecular formula C15H15IN2O3S and a molecular weight of 430.27 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
PubChem CID31489648
Molecular FormulaC15H15IN2O3S
Molecular Weight430.27 g/mol
Exact Mass429.98
IUPAC NameN-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
SMILESCc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1I
InChIInChI=1S/C15H15IN2O3S/c1-10-6-7-12(9-14(10)16)17-15(19)11-4-3-5-13(8-11)18-22(2,20)21/h3-9,18H,1-2H3,(H,17,19)
InChIKeyLBQXVZBEUVRDLJ-UHFFFAOYSA-N
XLogP3.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 53.22
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

3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265881
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
CID 22291070
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
lithium 3-[[3-(methanesulfonamido)phenyl]carbamoyl]benzenesulfonate
CID 20769669
3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
CID 22291112
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 163720510

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide (CID 31489648) is N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide is Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide?
The InChIKey is LBQXVZBEUVRDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3S/c1-10-6-7-12(9-14(10)16)17-15(19)11-4-3-5-13(8-11)18-22(2,20)21/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide?
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide has a molecular weight of 430.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 31489648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).