N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide

C15H25IN2O2S — CID 98788188

IUPACN-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
SMILESCCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C15H25IN2O2S/c1-4-18(5-2)12-6-7-13(3)17-21(19,20)15-10-8-14(16)9-11-15/h8-11,13,17H,4-7,12H2,1-3H3/t13-/m1/s1
InChIKeyOOHMGFVESXSZOQ-CYBMUJFWSA-N
MW424.35 g/mol
LogP3.08
Rot. Bonds9

About N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide

N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide (PubChem CID 98788188) has the molecular formula C15H25IN2O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
PubChem CID98788188
Molecular FormulaC15H25IN2O2S
Molecular Weight424.35 g/mol
Exact Mass424.07
IUPAC NameN-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
SMILESCCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C15H25IN2O2S/c1-4-18(5-2)12-6-7-13(3)17-21(19,20)15-10-8-14(16)9-11-15/h8-11,13,17H,4-7,12H2,1-3H3/t13-/m1/s1
InChIKeyOOHMGFVESXSZOQ-CYBMUJFWSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602577
3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8716846
2-chloro-5-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]benzoic acid
CID 100820173
4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
CID 57133728
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
N-(5-bromopentan-2-yl)-4-methylbenzenesulfonamide
CID 114294982
N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3667573

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide (CID 98788188) is N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide is CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide?
The InChIKey is OOHMGFVESXSZOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25IN2O2S/c1-4-18(5-2)12-6-7-13(3)17-21(19,20)15-10-8-14(16)9-11-15/h8-11,13,17H,4-7,12H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide?
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide has a molecular weight of 424.35 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 98788188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).