1-phenylethanesulfonamide

C8H11NO2S — CID 11275445

IUPAC1-phenylethanesulfonamide
SMILESCC(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C8H11NO2S/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,10,11)
InChIKeySPSQEKCXVRMSBW-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.04
Rot. Bonds2

About 1-phenylethanesulfonamide

1-phenylethanesulfonamide (PubChem CID 11275445) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-phenylethanesulfonamide.

Molecular Properties

Compound Name1-phenylethanesulfonamide
PubChem CID11275445
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name1-phenylethanesulfonamide
SMILESCC(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C8H11NO2S/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,10,11)
InChIKeySPSQEKCXVRMSBW-UHFFFAOYSA-N
XLogP1.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

P-Toluenesulfonamide
CID 6269
Phenylmethylsulfonyl Fluoride
CID 4784
2-Methylbenzenesulfonamide
CID 6924
Benzylsulfonic acid
CID 7532
Benzenemethanesulfonamide
CID 78318
4-Ethylbenzenesulfonamide
CID 222870
2-Phenylethynesulfonamide
CID 327653
4-Butylbenzenesulfonamide
CID 2054776
Phenylmethanesulfonyl chloride
CID 74740
4-Propylbenzenesulfonamide
CID 2265561
Phenylmethanesulfinic acid
CID 3311411
m-Toluenesulphonamide
CID 74697

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanesulfonamide?
The IUPAC name of 1-phenylethanesulfonamide (CID 11275445) is 1-phenylethanesulfonamide.
What is the SMILES notation for 1-phenylethanesulfonamide?
The canonical SMILES for 1-phenylethanesulfonamide is CC(c1ccccc1)S(N)(=O)=O.
What is the InChIKey of 1-phenylethanesulfonamide?
The InChIKey is SPSQEKCXVRMSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,10,11).
What are the key properties of 1-phenylethanesulfonamide?
1-phenylethanesulfonamide has a molecular weight of 185.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanesulfonamide is sourced from PubChem (CID 11275445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).