N-(cyclopropylmethyl)-4-iodobenzenesulfonamide

C10H12INO2S — CID 22273555

IUPACN-(cyclopropylmethyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(I)cc1
InChIInChI=1S/C10H12INO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKeyJJHBECGKZPZEJE-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.98
Rot. Bonds4

About N-(cyclopropylmethyl)-4-iodobenzenesulfonamide

N-(cyclopropylmethyl)-4-iodobenzenesulfonamide (PubChem CID 22273555) has the molecular formula C10H12INO2S and a molecular weight of 337.18 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-iodobenzenesulfonamide
PubChem CID22273555
Molecular FormulaC10H12INO2S
Molecular Weight337.18 g/mol
Exact Mass336.96
IUPAC NameN-(cyclopropylmethyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(I)cc1
InChIInChI=1S/C10H12INO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKeyJJHBECGKZPZEJE-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525486
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 1448139
N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide
CID 162354184
4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride
CID 114958320

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-iodobenzenesulfonamide (CID 22273555) is N-(cyclopropylmethyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-iodobenzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(I)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-iodobenzenesulfonamide?
The InChIKey is JJHBECGKZPZEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-8-1-2-8/h3-6,8,12H,1-2,7H2.
What are the key properties of N-(cyclopropylmethyl)-4-iodobenzenesulfonamide?
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide has a molecular weight of 337.18 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 22273555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).