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

C18H19IN2O4S — CID 1310055

IUPACN-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H19IN2O4S/c1-25-16-9-4-13(18(22)20-15-7-5-14(19)6-8-15)12-17(16)26(23,24)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyDEYWUSDFBCBKTL-UHFFFAOYSA-N
MW486.33 g/mol
LogP3.34
Rot. Bonds5

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

N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1310055) has the molecular formula C18H19IN2O4S and a molecular weight of 486.33 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1310055
Molecular FormulaC18H19IN2O4S
Molecular Weight486.33 g/mol
Exact Mass486.01
IUPAC NameN-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H19IN2O4S/c1-25-16-9-4-13(18(22)20-15-7-5-14(19)6-8-15)12-17(16)26(23,24)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyDEYWUSDFBCBKTL-UHFFFAOYSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.33
LogP ≤ 53.34
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-piperidin-1-ylsulfonylbenzamide
CID 18892179
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-(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
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39280812
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2083342
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
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-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1310055) is N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DEYWUSDFBCBKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O4S/c1-25-16-9-4-13(18(22)20-15-7-5-14(19)6-8-15)12-17(16)26(23,24)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22).
What are the key properties of N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 486.33 g/mol, XLogP of 3.34, 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-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1310055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).