4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride

C15H20ClNO3S — CID 43094957

IUPAC4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
SMILESO=C(CCC1CCCC1)NCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C15H20ClNO3S/c16-21(19,20)14-8-5-13(6-9-14)11-17-15(18)10-7-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7,10-11H2,(H,17,18)
InChIKeyZBSWYKVFPXIKAI-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.20
Rot. Bonds6

About 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride

4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride (PubChem CID 43094957) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
PubChem CID43094957
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
SMILESO=C(CCC1CCCC1)NCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C15H20ClNO3S/c16-21(19,20)14-8-5-13(6-9-14)11-17-15(18)10-7-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7,10-11H2,(H,17,18)
InChIKeyZBSWYKVFPXIKAI-UHFFFAOYSA-N
XLogP3.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
CID 107233470
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
4-[(butanoylamino)methyl]benzenesulfonyl chloride
CID 24688623
3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37426831
4-cyclohexyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24560673
3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride
CID 43096758
3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46449436
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577
N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
CID 73253877
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride (CID 43094957) is 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride is O=C(CCC1CCCC1)NCc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride?
The InChIKey is ZBSWYKVFPXIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c16-21(19,20)14-8-5-13(6-9-14)11-17-15(18)10-7-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7,10-11H2,(H,17,18).
What are the key properties of 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride?
4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride is sourced from PubChem (CID 43094957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).