3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide

C18H17N3O4S3 — CID 30287093

IUPAC3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide
SMILESCc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cs1
InChIInChI=1S/C18H17N3O4S3/c1-12-20-17(11-26-12)13-5-6-18-14(9-13)7-8-21(18)28(24,25)16-4-2-3-15(10-16)27(19,22)23/h2-6,9-11H,7-8H2,1H3,(H2,19,22,23)
InChIKeyZAONECQLQKPPKK-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.52
Rot. Bonds4

About 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide

3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide (PubChem CID 30287093) has the molecular formula C18H17N3O4S3 and a molecular weight of 435.55 g/mol. Its IUPAC name is 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide
PubChem CID30287093
Molecular FormulaC18H17N3O4S3
Molecular Weight435.55 g/mol
Exact Mass435.04
IUPAC Name3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide
SMILESCc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cs1
InChIInChI=1S/C18H17N3O4S3/c1-12-20-17(11-26-12)13-5-6-18-14(9-13)7-8-21(18)28(24,25)16-4-2-3-15(10-16)27(19,22)23/h2-6,9-11H,7-8H2,1H3,(H2,19,22,23)
InChIKeyZAONECQLQKPPKK-UHFFFAOYSA-N
XLogP2.52
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide?
The IUPAC name of 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide (CID 30287093) is 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide.
What is the SMILES notation for 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide?
The canonical SMILES for 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide is Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cs1.
What is the InChIKey of 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide?
The InChIKey is ZAONECQLQKPPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S3/c1-12-20-17(11-26-12)13-5-6-18-14(9-13)7-8-21(18)28(24,25)16-4-2-3-15(10-16)27(19,22)23/h2-6,9-11H,7-8H2,1H3,(H2,19,22,23).
What are the key properties of 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide?
3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide is sourced from PubChem (CID 30287093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).