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

C17H15N3O3S3 — CID 57475965

IUPACN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2cc(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H15N3O3S3/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/h2-9,19,21H,10H2,1H3
InChIKeyQCBWENSUOQKWBY-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.67
Rot. Bonds5

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

N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 57475965) has the molecular formula C17H15N3O3S3 and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID57475965
Molecular FormulaC17H15N3O3S3
Molecular Weight405.53 g/mol
Exact Mass405.03
IUPAC NameN-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2cc(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H15N3O3S3/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/h2-9,19,21H,10H2,1H3
InChIKeyQCBWENSUOQKWBY-UHFFFAOYSA-N
XLogP3.67
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 57475965) is N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1cccc2cc(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is QCBWENSUOQKWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S3/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/h2-9,19,21H,10H2,1H3.
What are the key properties of N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 405.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 57475965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).