N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

C20H23IN2O3S — CID 46763294

IUPACN-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H23IN2O3S/c1-15-13-18(21)9-10-19(15)22-20(24)17-7-5-16(6-8-17)14-27(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeyFSNXTTVQGPKKLY-UHFFFAOYSA-N
MW498.39 g/mol
LogP4.17
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 46763294) has the molecular formula C20H23IN2O3S and a molecular weight of 498.39 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID46763294
Molecular FormulaC20H23IN2O3S
Molecular Weight498.39 g/mol
Exact Mass498.05
IUPAC NameN-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H23IN2O3S/c1-15-13-18(21)9-10-19(15)22-20(24)17-7-5-16(6-8-17)14-27(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeyFSNXTTVQGPKKLY-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 43923863
N-(2,4-dimethylphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969463
N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92671481
N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46770290
N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30378930
N-(2-methoxy-5-methylphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763715
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
N-(4-iodo-2-methylphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43923865
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 46763294) is N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is Cc1cc(I)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is FSNXTTVQGPKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O3S/c1-15-13-18(21)9-10-19(15)22-20(24)17-7-5-16(6-8-17)14-27(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24).
What are the key properties of N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 498.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 46763294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).