3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride

C15H22ClNO3S — CID 43103561

IUPAC3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride
SMILESCCCCC(=O)Nc1c(CC)cc(S(=O)(=O)Cl)cc1CC
InChIInChI=1S/C15H22ClNO3S/c1-4-7-8-14(18)17-15-11(5-2)9-13(21(16,19)20)10-12(15)6-3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyDKDDRYZZVRSRDZ-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.87
Rot. Bonds7

About 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride

3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride (PubChem CID 43103561) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride
PubChem CID43103561
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride
SMILESCCCCC(=O)Nc1c(CC)cc(S(=O)(=O)Cl)cc1CC
InChIInChI=1S/C15H22ClNO3S/c1-4-7-8-14(18)17-15-11(5-2)9-13(21(16,19)20)10-12(15)6-3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyDKDDRYZZVRSRDZ-UHFFFAOYSA-N
XLogP3.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783
4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride
CID 43098447
N-(2,6-diethyl-4-sulfamoylphenyl)propanamide
CID 2726194
3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 115949334
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
CID 43246587
N-(2,6-diethyl-4-sulfamoylphenyl)acetamide
CID 2726107
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
N-(2,6-diethylphenyl)-3-oxoheptanamide
CID 71337961
N-pentanoylsulfamoyl chloride
CID 59773977
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide
CID 140616425

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride?
The IUPAC name of 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride (CID 43103561) is 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride?
The canonical SMILES for 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride is CCCCC(=O)Nc1c(CC)cc(S(=O)(=O)Cl)cc1CC.
What is the InChIKey of 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride?
The InChIKey is DKDDRYZZVRSRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-4-7-8-14(18)17-15-11(5-2)9-13(21(16,19)20)10-12(15)6-3/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride?
3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride has a molecular weight of 331.87 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43103561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).