4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid

C15H13NO4S — CID 856543

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H13NO4S/c17-15(18)12-5-7-13(8-6-12)21(19,20)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10H2,(H,17,18)
InChIKeyKEIMROLKEASOFU-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.14
Rot. Bonds3

About 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid

4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid (PubChem CID 856543) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
PubChem CID856543
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H13NO4S/c17-15(18)12-5-7-13(8-6-12)21(19,20)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10H2,(H,17,18)
InChIKeyKEIMROLKEASOFU-UHFFFAOYSA-N
XLogP2.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4128008
[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1169483
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid (CID 856543) is 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid?
The InChIKey is KEIMROLKEASOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-15(18)12-5-7-13(8-6-12)21(19,20)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10H2,(H,17,18).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid?
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid has a molecular weight of 303.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid is sourced from PubChem (CID 856543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).