2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate

C17H17ClNO4S- — CID 2439942

IUPAC2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
SMILESC[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1
InChIInChI=1S/C17H18ClNO4S/c1-12(7-8-13-5-3-2-4-6-13)19-24(22,23)14-9-10-16(18)15(11-14)17(20)21/h2-6,9-12,19H,7-8H2,1H3,(H,20,21)/p-1/t12-/m1/s1
InChIKeySSRBOENWLAHUDC-GFCCVEGCSA-M
MW366.85 g/mol
LogP2.00
Rot. Bonds7

About 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate

2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate (PubChem CID 2439942) has the molecular formula C17H17ClNO4S- and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Name2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
PubChem CID2439942
Molecular FormulaC17H17ClNO4S-
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC Name2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
SMILESC[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1
InChIInChI=1S/C17H18ClNO4S/c1-12(7-8-13-5-3-2-4-6-13)19-24(22,23)14-9-10-16(18)15(11-14)17(20)21/h2-6,9-12,19H,7-8H2,1H3,(H,20,21)/p-1/t12-/m1/s1
InChIKeySSRBOENWLAHUDC-GFCCVEGCSA-M
XLogP2.00
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate with MolForge

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Related Compounds

4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 16565689
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17200530
2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 74225948
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate?
The IUPAC name of 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate (CID 2439942) is 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate.
What is the SMILES notation for 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate?
The canonical SMILES for 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate is C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1.
What is the InChIKey of 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate?
The InChIKey is SSRBOENWLAHUDC-GFCCVEGCSA-M. The full InChI is InChI=1S/C17H18ClNO4S/c1-12(7-8-13-5-3-2-4-6-13)19-24(22,23)14-9-10-16(18)15(11-14)17(20)21/h2-6,9-12,19H,7-8H2,1H3,(H,20,21)/p-1/t12-/m1/s1.
What are the key properties of 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate?
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate has a molecular weight of 366.85 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate is sourced from PubChem (CID 2439942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).