(2S)-2-(benzenesulfonamido)butanoate

C10H12NO4S- — CID 6944962

IUPAC(2S)-2-(benzenesulfonamido)butanoate
SMILESCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C10H13NO4S/c1-2-9(10(12)13)11-16(14,15)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3,(H,12,13)/p-1/t9-/m0/s1
InChIKeyQHDGPWMINFIDFP-VIFPVBQESA-M
MW242.28 g/mol
LogP-0.51
Rot. Bonds5

About (2S)-2-(benzenesulfonamido)butanoate

(2S)-2-(benzenesulfonamido)butanoate (PubChem CID 6944962) has the molecular formula C10H12NO4S- and a molecular weight of 242.28 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)butanoate.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)butanoate
PubChem CID6944962
Molecular FormulaC10H12NO4S-
Molecular Weight242.28 g/mol
Exact Mass242.05
IUPAC Name(2S)-2-(benzenesulfonamido)butanoate
SMILESCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C10H13NO4S/c1-2-9(10(12)13)11-16(14,15)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3,(H,12,13)/p-1/t9-/m0/s1
InChIKeyQHDGPWMINFIDFP-VIFPVBQESA-M
XLogP-0.51
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 171479381
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate
CID 6942145
2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
sodium (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 139844001
ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
CID 18664309
(2S)-2-[[4-(ethoxycarbonylamino)phenyl]sulfonylamino]-3-phenylpropanoate
CID 2185117

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)butanoate?
The IUPAC name of (2S)-2-(benzenesulfonamido)butanoate (CID 6944962) is (2S)-2-(benzenesulfonamido)butanoate.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)butanoate?
The canonical SMILES for (2S)-2-(benzenesulfonamido)butanoate is CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-].
What is the InChIKey of (2S)-2-(benzenesulfonamido)butanoate?
The InChIKey is QHDGPWMINFIDFP-VIFPVBQESA-M. The full InChI is InChI=1S/C10H13NO4S/c1-2-9(10(12)13)11-16(14,15)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3,(H,12,13)/p-1/t9-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)butanoate?
(2S)-2-(benzenesulfonamido)butanoate has a molecular weight of 242.28 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)butanoate is sourced from PubChem (CID 6944962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).