N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

C17H17N3O3S3 — CID 70860890

IUPACN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2c1NC(c1ncc(CO)s1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H17N3O3S3/c1-20(26(22,23)15-6-3-7-24-15)14-5-2-4-11-8-13(19-16(11)14)17-18-9-12(10-21)25-17/h2-7,9,13,19,21H,8,10H2,1H3
InChIKeyUMFYIQKNUMRWRW-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.23
Rot. Bonds5

About N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 70860890) has the molecular formula C17H17N3O3S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID70860890
Molecular FormulaC17H17N3O3S3
Molecular Weight407.54 g/mol
Exact Mass407.04
IUPAC NameN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2c1NC(c1ncc(CO)s1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H17N3O3S3/c1-20(26(22,23)15-6-3-7-24-15)14-5-2-4-11-8-13(19-16(11)14)17-18-9-12(10-21)25-17/h2-7,9,13,19,21H,8,10H2,1H3
InChIKeyUMFYIQKNUMRWRW-UHFFFAOYSA-N
XLogP3.23
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 70860890) is N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1cccc2c1NC(c1ncc(CO)s1)C2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is UMFYIQKNUMRWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S3/c1-20(26(22,23)15-6-3-7-24-15)14-5-2-4-11-8-13(19-16(11)14)17-18-9-12(10-21)25-17/h2-7,9,13,19,21H,8,10H2,1H3.
What are the key properties of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 70860890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).