2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate

C16H16NO4S- — CID 7574221

IUPAC2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C16H17NO4S/c1-11(2)12-7-9-13(10-8-12)22(20,21)17-15-6-4-3-5-14(15)16(18)19/h3-11,17H,1-2H3,(H,18,19)/p-1
InChIKeyLEPVVVNGFNERGV-UHFFFAOYSA-M
MW318.37 g/mol
LogP1.97
Rot. Bonds5

About 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate

2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate (PubChem CID 7574221) has the molecular formula C16H16NO4S- and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
PubChem CID7574221
Molecular FormulaC16H16NO4S-
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C16H17NO4S/c1-11(2)12-7-9-13(10-8-12)22(20,21)17-15-6-4-3-5-14(15)16(18)19/h3-11,17H,1-2H3,(H,18,19)/p-1
InChIKeyLEPVVVNGFNERGV-UHFFFAOYSA-M
XLogP1.97
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068075
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
CID 7573844
N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774369
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42900642
N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide
CID 94779737
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate?
The IUPAC name of 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate (CID 7574221) is 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate is CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate?
The InChIKey is LEPVVVNGFNERGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17NO4S/c1-11(2)12-7-9-13(10-8-12)22(20,21)17-15-6-4-3-5-14(15)16(18)19/h3-11,17H,1-2H3,(H,18,19)/p-1.
What are the key properties of 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate?
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate has a molecular weight of 318.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7574221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).