4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride

C13H16ClNO3S — CID 154500938

IUPAC4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride
SMILESCC(=O)N[C@@H]1CCCC1c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C13H16ClNO3S/c1-9(16)15-13-4-2-3-12(13)10-5-7-11(8-6-10)19(14,17)18/h5-8,12-13H,2-4H2,1H3,(H,15,16)/t12?,13-/m1/s1
InChIKeyDQHOWHSQDKAKPS-ZGTCLIOFSA-N
MW301.80 g/mol
LogP2.39
Rot. Bonds3

About 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride

4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride (PubChem CID 154500938) has the molecular formula C13H16ClNO3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride
PubChem CID154500938
Molecular FormulaC13H16ClNO3S
Molecular Weight301.80 g/mol
Exact Mass301.05
IUPAC Name4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride
SMILESCC(=O)N[C@@H]1CCCC1c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C13H16ClNO3S/c1-9(16)15-13-4-2-3-12(13)10-5-7-11(8-6-10)19(14,17)18/h5-8,12-13H,2-4H2,1H3,(H,15,16)/t12?,13-/m1/s1
InChIKeyDQHOWHSQDKAKPS-ZGTCLIOFSA-N
XLogP2.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide
CID 143823201
methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
CID 87712134
N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide
CID 155355182
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide
CID 44518327
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride (CID 154500938) is 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride is CC(=O)N[C@@H]1CCCC1c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride?
The InChIKey is DQHOWHSQDKAKPS-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-9(16)15-13-4-2-3-12(13)10-5-7-11(8-6-10)19(14,17)18/h5-8,12-13H,2-4H2,1H3,(H,15,16)/t12?,13-/m1/s1.
What are the key properties of 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride?
4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride has a molecular weight of 301.80 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride is sourced from PubChem (CID 154500938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).