methyl (2S)-2-(benzenesulfonamido)propanoate

C10H13NO4S — CID 10857687

IUPACmethyl (2S)-2-(benzenesulfonamido)propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO4S/c1-8(10(12)15-2)11-16(13,14)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-/m0/s1
InChIKeyNLCBCXSAUMQAQN-QMMMGPOBSA-N
MW243.28 g/mol
LogP0.53
Rot. Bonds4

About methyl (2S)-2-(benzenesulfonamido)propanoate

methyl (2S)-2-(benzenesulfonamido)propanoate (PubChem CID 10857687) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is methyl (2S)-2-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(benzenesulfonamido)propanoate
PubChem CID10857687
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namemethyl (2S)-2-(benzenesulfonamido)propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO4S/c1-8(10(12)15-2)11-16(13,14)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-/m0/s1
InChIKeyNLCBCXSAUMQAQN-QMMMGPOBSA-N
XLogP0.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
methyl (2S)-3,3-diamino-2-(benzenesulfonamido)propanoate
CID 70080026
methyl 2-[[4-(bromomethyl)phenyl]sulfonylamino]propanoate
CID 65480230
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(benzenesulfonamido)propanoate?
The IUPAC name of methyl (2S)-2-(benzenesulfonamido)propanoate (CID 10857687) is methyl (2S)-2-(benzenesulfonamido)propanoate.
What is the SMILES notation for methyl (2S)-2-(benzenesulfonamido)propanoate?
The canonical SMILES for methyl (2S)-2-(benzenesulfonamido)propanoate is COC(=O)[C@H](C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of methyl (2S)-2-(benzenesulfonamido)propanoate?
The InChIKey is NLCBCXSAUMQAQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8(10(12)15-2)11-16(13,14)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(benzenesulfonamido)propanoate?
methyl (2S)-2-(benzenesulfonamido)propanoate has a molecular weight of 243.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(benzenesulfonamido)propanoate is sourced from PubChem (CID 10857687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).