N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide

C11H11IN2O2S2 — CID 113368495

IUPACN-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cccc(I)c2C)s1
InChIInChI=1S/C11H11IN2O2S2/c1-7-9(12)4-3-5-10(7)14-18(15,16)11-6-13-8(2)17-11/h3-6,14H,1-2H3
InChIKeyKFZRGDKMOZCTBY-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.17
Rot. Bonds3

About N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 113368495) has the molecular formula C11H11IN2O2S2 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID113368495
Molecular FormulaC11H11IN2O2S2
Molecular Weight394.26 g/mol
Exact Mass393.93
IUPAC NameN-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cccc(I)c2C)s1
InChIInChI=1S/C11H11IN2O2S2/c1-7-9(12)4-3-5-10(7)14-18(15,16)11-6-13-8(2)17-11/h3-6,14H,1-2H3
InChIKeyKFZRGDKMOZCTBY-UHFFFAOYSA-N
XLogP3.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103847453
2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798280
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785
N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414535
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 106911075
N-(3-iodo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113368492
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413734
2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 103414481
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847443

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 113368495) is N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2cccc(I)c2C)s1.
What is the InChIKey of N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is KFZRGDKMOZCTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O2S2/c1-7-9(12)4-3-5-10(7)14-18(15,16)11-6-13-8(2)17-11/h3-6,14H,1-2H3.
What are the key properties of N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 394.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113368495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).