N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide

C15H17IN2O2S — CID 62142672

IUPACN-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H17IN2O2S/c1-2-11-17-13-7-9-15(10-8-13)21(19,20)18-14-5-3-12(16)4-6-14/h3-10,17-18H,2,11H2,1H3
InChIKeyRUACQUOBBMWUDP-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.91
Rot. Bonds6

About N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide

N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide (PubChem CID 62142672) has the molecular formula C15H17IN2O2S and a molecular weight of 416.28 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
PubChem CID62142672
Molecular FormulaC15H17IN2O2S
Molecular Weight416.28 g/mol
Exact Mass416.01
IUPAC NameN-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H17IN2O2S/c1-2-11-17-13-7-9-15(10-8-13)21(19,20)18-14-5-3-12(16)4-6-14/h3-10,17-18H,2,11H2,1H3
InChIKeyRUACQUOBBMWUDP-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 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 ≤ 53.91
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-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
N-(1-methylcyclopentyl)-4-(propylamino)benzenesulfonamide
CID 64687908
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62157548

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide (CID 62142672) is N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide?
The InChIKey is RUACQUOBBMWUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2S/c1-2-11-17-13-7-9-15(10-8-13)21(19,20)18-14-5-3-12(16)4-6-14/h3-10,17-18H,2,11H2,1H3.
What are the key properties of N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide?
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide has a molecular weight of 416.28 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62142672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).