3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide

C10H14ClNO4S2 — CID 124614301

IUPAC3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO4S2/c1-8(7-17(2,13)14)12-18(15,16)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyCGPIXJHFHIRGGL-QMMMGPOBSA-N
MW311.81 g/mol
LogP1.05
Rot. Bonds5

About 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide

3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide (PubChem CID 124614301) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide
PubChem CID124614301
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO4S2/c1-8(7-17(2,13)14)12-18(15,16)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyCGPIXJHFHIRGGL-QMMMGPOBSA-N
XLogP1.05
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide (CID 124614301) is 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide is C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide?
The InChIKey is CGPIXJHFHIRGGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-8(7-17(2,13)14)12-18(15,16)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide?
3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide has a molecular weight of 311.81 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1-methylsulfonylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 124614301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).