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

C12H16ClNO2S — CID 59458340

IUPACN-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c1-8(2)17(15,16)14-12-7-11(12)9-3-5-10(13)6-4-9/h3-6,8,11-12,14H,7H2,1-2H3/t11-,12+/m1/s1
InChIKeyUVYKFPXUUBJEAG-NEPJUHHUSA-N
MW273.79 g/mol
LogP2.52
Rot. Bonds4

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

N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide (PubChem CID 59458340) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide
PubChem CID59458340
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC NameN-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c1-8(2)17(15,16)14-12-7-11(12)9-3-5-10(13)6-4-9/h3-6,8,11-12,14H,7H2,1-2H3/t11-,12+/m1/s1
InChIKeyUVYKFPXUUBJEAG-NEPJUHHUSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Saclofen
CID 122150
(+,-) Cis-propane-2-sulfonic Acid (2-p-chlorophenyl-cyclopentyl)-amide
CID 11033972
N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)butane-1-sulfonamide
CID 44425955
1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 715210
(R)-Saclofen
CID 6604706
N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 6464300
N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methylpropane-2-sulfonamide
CID 44425957
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methylpropane-2-sulfonamide
CID 44574097
3-Amino-2-(4-chloro-phenyl)-propane-1-sulfinic acid
CID 10130862
Propane-2-sulfonic acid [2-(4''-chloro-biphenyl-4-yl)-propyl]-amide
CID 10784150
2-Amino-2-(4-chlorophenyl)ethanesulfonic acid
CID 124575
1-(2-chlorophenyl)-N-cyclohexylmethanesulfonamide
CID 1502245

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide (CID 59458340) is N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide?
The InChIKey is UVYKFPXUUBJEAG-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-8(2)17(15,16)14-12-7-11(12)9-3-5-10(13)6-4-9/h3-6,8,11-12,14H,7H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide?
N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide has a molecular weight of 273.79 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]propane-2-sulfonamide is sourced from PubChem (CID 59458340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).