4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide

C15H17IN2O2S — CID 106029613

IUPAC4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide
SMILESNCCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H17IN2O2S/c16-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(4-10-15)2-1-11-17/h3-10,18H,1-2,11,17H2
InChIKeyRUPCRXRXIGSXNW-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.98
Rot. Bonds6

About 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide

4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide (PubChem CID 106029613) has the molecular formula C15H17IN2O2S and a molecular weight of 416.28 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide
PubChem CID106029613
Molecular FormulaC15H17IN2O2S
Molecular Weight416.28 g/mol
Exact Mass416.01
IUPAC Name4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide
SMILESNCCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H17IN2O2S/c16-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(4-10-15)2-1-11-17/h3-10,18H,1-2,11,17H2
InChIKeyRUPCRXRXIGSXNW-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088618
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033132
2-[4-[(4-iodophenyl)sulfamoyl]phenyl]ethanethioamide
CID 79185293
N-[4-(3-aminopropyl)phenyl]ethanesulfonamide
CID 28754709
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide (CID 106029613) is 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide is NCCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide?
The InChIKey is RUPCRXRXIGSXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2S/c16-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(4-10-15)2-1-11-17/h3-10,18H,1-2,11,17H2.
What are the key properties of 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide?
4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide has a molecular weight of 416.28 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 106029613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).