(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C14H10ClNO3S — CID 124574015

IUPAC(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc21
InChIInChI=1S/C14H10ClNO3S/c15-12-6-5-11(20-12)13(17)16-7-9(14(18)19)8-3-1-2-4-10(8)16/h1-6,9H,7H2,(H,18,19)/t9-/m1/s1
InChIKeyALCIODXRDUQMQR-SECBINFHSA-N
MW307.76 g/mol
LogP3.23
Rot. Bonds2

About (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 124574015) has the molecular formula C14H10ClNO3S and a molecular weight of 307.76 g/mol. Its IUPAC name is (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID124574015
Molecular FormulaC14H10ClNO3S
Molecular Weight307.76 g/mol
Exact Mass307.01
IUPAC Name(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc21
InChIInChI=1S/C14H10ClNO3S/c15-12-6-5-11(20-12)13(17)16-7-9(14(18)19)8-3-1-2-4-10(8)16/h1-6,9H,7H2,(H,18,19)/t9-/m1/s1
InChIKeyALCIODXRDUQMQR-SECBINFHSA-N
XLogP3.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107959682
1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564421
4-(5-chlorothiophene-2-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 43242096
1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691318
(3R)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574031
(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032
1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80562800
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
(3S)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609689
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-(4-iodobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564506
(3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574107

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 124574015) is (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc21.
What is the InChIKey of (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is ALCIODXRDUQMQR-SECBINFHSA-N. The full InChI is InChI=1S/C14H10ClNO3S/c15-12-6-5-11(20-12)13(17)16-7-9(14(18)19)8-3-1-2-4-10(8)16/h1-6,9H,7H2,(H,18,19)/t9-/m1/s1.
What are the key properties of (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 307.76 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 124574015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).