N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron

C14H13ClFeN2O3S — CID 70193525

IUPACN-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)c(Cl)c2)cc1.[Fe]
InChIInChI=1S/C14H13ClN2O3S.Fe/c1-9(18)17-10-2-4-11(5-3-10)21(19,20)12-6-7-14(16)13(15)8-12;/h2-8H,16H2,1H3,(H,17,18);
InChIKeyISGPXPQEZKIPHI-UHFFFAOYSA-N
MW380.63 g/mol
LogP2.71
Rot. Bonds3

About N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron

N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron (PubChem CID 70193525) has the molecular formula C14H13ClFeN2O3S and a molecular weight of 380.63 g/mol. Its IUPAC name is N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron.

Molecular Properties

Compound NameN-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron
PubChem CID70193525
Molecular FormulaC14H13ClFeN2O3S
Molecular Weight380.63 g/mol
Exact Mass379.97
IUPAC NameN-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)c(Cl)c2)cc1.[Fe]
InChIInChI=1S/C14H13ClN2O3S.Fe/c1-9(18)17-10-2-4-11(5-3-10)21(19,20)12-6-7-14(16)13(15)8-12;/h2-8H,16H2,1H3,(H,17,18);
InChIKeyISGPXPQEZKIPHI-UHFFFAOYSA-N
XLogP2.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-[(4-amino-3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 8538672
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 18758681
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron?
The IUPAC name of N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron (CID 70193525) is N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron.
What is the SMILES notation for N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron?
The canonical SMILES for N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron is CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)c(Cl)c2)cc1.[Fe].
What is the InChIKey of N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron?
The InChIKey is ISGPXPQEZKIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S.Fe/c1-9(18)17-10-2-4-11(5-3-10)21(19,20)12-6-7-14(16)13(15)8-12;/h2-8H,16H2,1H3,(H,17,18);.
What are the key properties of N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron?
N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron has a molecular weight of 380.63 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron is sourced from PubChem (CID 70193525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).