(2S)-2-(benzenesulfonamido)-2-phenylbutanoate

C16H16NO4S- — CID 6942302

IUPAC(2S)-2-(benzenesulfonamido)-2-phenylbutanoate
SMILESCC[C@@](NS(=O)(=O)c1ccccc1)(C(=O)[O-])c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-2-16(15(18)19,13-9-5-3-6-10-13)17-22(20,21)14-11-7-4-8-12-14/h3-12,17H,2H2,1H3,(H,18,19)/p-1/t16-/m0/s1
InChIKeyDULROBPPXIHIIE-INIZCTEOSA-M
MW318.37 g/mol
LogP1.02
Rot. Bonds6

About (2S)-2-(benzenesulfonamido)-2-phenylbutanoate

(2S)-2-(benzenesulfonamido)-2-phenylbutanoate (PubChem CID 6942302) has the molecular formula C16H16NO4S- and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-2-phenylbutanoate.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-2-phenylbutanoate
PubChem CID6942302
Molecular FormulaC16H16NO4S-
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name(2S)-2-(benzenesulfonamido)-2-phenylbutanoate
SMILESCC[C@@](NS(=O)(=O)c1ccccc1)(C(=O)[O-])c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-2-16(15(18)19,13-9-5-3-6-10-13)17-22(20,21)14-11-7-4-8-12-14/h3-12,17H,2H2,1H3,(H,18,19)/p-1/t16-/m0/s1
InChIKeyDULROBPPXIHIIE-INIZCTEOSA-M
XLogP1.02
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate
CID 101398756
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
2-[(4-bromophenyl)sulfonylamino]-2-ethylbutanoic acid
CID 79806712
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
CID 102237864
ethyl 2-amino-2-(benzenesulfonamido)propanoate
CID 57069494
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
3-[(4-phenoxyphenyl)sulfonylamino]pentan-3-ylphosphonic acid
CID 70104609
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-2-phenylbutanoate?
The IUPAC name of (2S)-2-(benzenesulfonamido)-2-phenylbutanoate (CID 6942302) is (2S)-2-(benzenesulfonamido)-2-phenylbutanoate.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-2-phenylbutanoate?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-2-phenylbutanoate is CC[C@@](NS(=O)(=O)c1ccccc1)(C(=O)[O-])c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-2-phenylbutanoate?
The InChIKey is DULROBPPXIHIIE-INIZCTEOSA-M. The full InChI is InChI=1S/C16H17NO4S/c1-2-16(15(18)19,13-9-5-3-6-10-13)17-22(20,21)14-11-7-4-8-12-14/h3-12,17H,2H2,1H3,(H,18,19)/p-1/t16-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-2-phenylbutanoate?
(2S)-2-(benzenesulfonamido)-2-phenylbutanoate has a molecular weight of 318.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-2-phenylbutanoate is sourced from PubChem (CID 6942302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).