N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide

C16H18ClNO2S — CID 102467096

IUPACN-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCl)Cc2ccccc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-13-7-9-16(10-8-13)21(19,20)18-15(12-17)11-14-5-3-2-4-6-14/h2-10,15,18H,11-12H2,1H3/t15-/m1/s1
InChIKeyIXGIONYGEYPFOL-OAHLLOKOSA-N
MW323.85 g/mol
LogP3.12
Rot. Bonds6

About N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide

N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 102467096) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID102467096
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCl)Cc2ccccc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-13-7-9-16(10-8-13)21(19,20)18-15(12-17)11-14-5-3-2-4-6-14/h2-10,15,18H,11-12H2,1H3/t15-/m1/s1
InChIKeyIXGIONYGEYPFOL-OAHLLOKOSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
CID 50993309
N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 165342128
4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 93004561
[(2R)-1,1-dideuterio-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate
CID 131668400
4-methyl-N-[(2R,4S)-4-methyl-5-oxo-1-phenylheptan-2-yl]benzenesulfonamide
CID 10809381
N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
CID 65030823
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
2-chloroacetaldehyde;(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 87106127

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide (CID 102467096) is N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CCl)Cc2ccccc2)cc1.
What is the InChIKey of N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is IXGIONYGEYPFOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-13-7-9-16(10-8-13)21(19,20)18-15(12-17)11-14-5-3-2-4-6-14/h2-10,15,18H,11-12H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102467096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).