N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide

C14H14ClIN2O2S — CID 18504968

IUPACN-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide
SMILESNc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1I
InChIInChI=1S/C14H14ClIN2O2S/c15-11-2-4-12(5-3-11)21(19,20)18-8-7-10-1-6-14(17)13(16)9-10/h1-6,9,18H,7-8,17H2
InChIKeyUEXHUIGOSQMRCS-UHFFFAOYSA-N
MW436.70 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide

N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide (PubChem CID 18504968) has the molecular formula C14H14ClIN2O2S and a molecular weight of 436.70 g/mol. Its IUPAC name is N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide
PubChem CID18504968
Molecular FormulaC14H14ClIN2O2S
Molecular Weight436.70 g/mol
Exact Mass435.95
IUPAC NameN-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide
SMILESNc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1I
InChIInChI=1S/C14H14ClIN2O2S/c15-11-2-4-12(5-3-11)21(19,20)18-8-7-10-1-6-14(17)13(16)9-10/h1-6,9,18H,7-8,17H2
InChIKeyUEXHUIGOSQMRCS-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 63322099
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3-benzodioxole-2-carboxylic acid
CID 14796796
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
3-amino-4-bromo-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 115328936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide (CID 18504968) is N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide is Nc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1I.
What is the InChIKey of N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide?
The InChIKey is UEXHUIGOSQMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O2S/c15-11-2-4-12(5-3-11)21(19,20)18-8-7-10-1-6-14(17)13(16)9-10/h1-6,9,18H,7-8,17H2.
What are the key properties of N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide?
N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide has a molecular weight of 436.70 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 18504968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).