N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide

C14H20ClNO2S — CID 11033972

IUPACN-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
InChIKeyHWBOIASHMSQVLM-ZIAGYGMSSA-N
MW301.84 g/mol
LogP3.30
Rot. Bonds4

About N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide

N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide (PubChem CID 11033972) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide
PubChem CID11033972
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC NameN-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
InChIKeyHWBOIASHMSQVLM-ZIAGYGMSSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide (CID 11033972) is N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide?
The InChIKey is HWBOIASHMSQVLM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide?
N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide has a molecular weight of 301.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(4-chlorophenyl)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 11033972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).