3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

C12H16ClIN2O3S — CID 103736181

IUPAC3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(I)c(Cl)c1)NS(C)(=O)=O
InChIInChI=1S/C12H16ClIN2O3S/c1-12(2,16-20(3,18)19)7-15-11(17)8-4-5-10(14)9(13)6-8/h4-6,16H,7H2,1-3H3,(H,15,17)
InChIKeyZAJRVMXQNACYBC-UHFFFAOYSA-N
MW430.70 g/mol
LogP2.00
Rot. Bonds5

About 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (PubChem CID 103736181) has the molecular formula C12H16ClIN2O3S and a molecular weight of 430.70 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
PubChem CID103736181
Molecular FormulaC12H16ClIN2O3S
Molecular Weight430.70 g/mol
Exact Mass429.96
IUPAC Name3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(I)c(Cl)c1)NS(C)(=O)=O
InChIInChI=1S/C12H16ClIN2O3S/c1-12(2,16-20(3,18)19)7-15-11(17)8-4-5-10(14)9(13)6-8/h4-6,16H,7H2,1-3H3,(H,15,17)
InChIKeyZAJRVMXQNACYBC-UHFFFAOYSA-N
XLogP2.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.70
LogP ≤ 52.00
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-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
CID 63862642
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63866133
5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63861191
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63862461
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63863725
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-iodobenzamide
CID 55684463
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The IUPAC name of 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (CID 103736181) is 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1ccc(I)c(Cl)c1)NS(C)(=O)=O.
What is the InChIKey of 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The InChIKey is ZAJRVMXQNACYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2O3S/c1-12(2,16-20(3,18)19)7-15-11(17)8-4-5-10(14)9(13)6-8/h4-6,16H,7H2,1-3H3,(H,15,17).
What are the key properties of 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide has a molecular weight of 430.70 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is sourced from PubChem (CID 103736181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).