4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride

C10H14ClNO2S — CID 163626760

IUPAC4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride
SMILESCN[C@@H](C)Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-8(12-2)7-9-3-5-10(6-4-9)15(11,13)14/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyHSRMRLHAXKVQGD-QMMMGPOBSA-N
MW247.75 g/mol
LogP1.76
Rot. Bonds4

About 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride

4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride (PubChem CID 163626760) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride
PubChem CID163626760
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride
SMILESCN[C@@H](C)Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-8(12-2)7-9-3-5-10(6-4-9)15(11,13)14/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyHSRMRLHAXKVQGD-QMMMGPOBSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-methyl-1-phenylpropan-2-amine
CID 118309477
N-methyl-1-(4-pyridin-4-ylphenyl)propan-2-amine
CID 82540626
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726402
4-(4-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 43372353
4-[3-(propan-2-ylsulfonylamino)propyl]benzenesulfonyl chloride
CID 60905145

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride (CID 163626760) is 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride is CN[C@@H](C)Cc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride?
The InChIKey is HSRMRLHAXKVQGD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-8(12-2)7-9-3-5-10(6-4-9)15(11,13)14/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride?
4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride has a molecular weight of 247.75 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(methylamino)propyl]benzenesulfonyl chloride is sourced from PubChem (CID 163626760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).