N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

C19H21IN2O4S — CID 18892179

IUPACN-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21IN2O4S/c1-26-17-10-5-14(19(23)21-16-8-6-15(20)7-9-16)13-18(17)27(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyZLJNQLZXBGPONC-UHFFFAOYSA-N
MW500.36 g/mol
LogP3.73
Rot. Bonds5

About N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 18892179) has the molecular formula C19H21IN2O4S and a molecular weight of 500.36 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
PubChem CID18892179
Molecular FormulaC19H21IN2O4S
Molecular Weight500.36 g/mol
Exact Mass500.03
IUPAC NameN-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21IN2O4S/c1-26-17-10-5-14(19(23)21-16-8-6-15(20)7-9-16)13-18(17)27(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)
InChIKeyZLJNQLZXBGPONC-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.36
LogP ≤ 53.73
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

N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
dimethyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 45373598
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39280812
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2083342
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (CID 18892179) is N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZLJNQLZXBGPONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O4S/c1-26-17-10-5-14(19(23)21-16-8-6-15(20)7-9-16)13-18(17)27(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23).
What are the key properties of N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 500.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18892179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).