N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide

C11H16ClNO2S — CID 65030823

IUPACN-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(CCl)Cc1ccccc1
InChIInChI=1S/C11H16ClNO2S/c1-2-16(14,15)13-11(9-12)8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3
InChIKeyOYRCULQWQFPFBS-UHFFFAOYSA-N
MW261.77 g/mol
LogP1.78
Rot. Bonds6

About N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide

N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide (PubChem CID 65030823) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
PubChem CID65030823
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(CCl)Cc1ccccc1
InChIInChI=1S/C11H16ClNO2S/c1-2-16(14,15)13-11(9-12)8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3
InChIKeyOYRCULQWQFPFBS-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 51.78
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-chloro-3-phenylpropan-2-yl)-2-methoxyethanesulfonamide
CID 65030566
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 65031129
N-(1-chloro-3-phenylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79601129
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
N-(1-amino-2-phenylethyl)ethanesulfonamide
CID 69257411
N-(1-chloro-3-phenylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 65030825
3-cyano-N-[(2R)-1-phenylbutan-2-yl]propane-1-sulfonamide
CID 95621949
N-(1-bromo-3-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 113271623
N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65029172
N-(2-phenyl-1-thiophen-2-ylethyl)ethanesulfonamide
CID 56791791
N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide
CID 114296939
N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide (CID 65030823) is N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(CCl)Cc1ccccc1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide?
The InChIKey is OYRCULQWQFPFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-2-16(14,15)13-11(9-12)8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3.
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide?
N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 65030823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).