N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

C22H21N5O4S2 — CID 90712311

IUPACN-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(Cn4c(O)ccc4O)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C22H21N5O4S2/c1-26(33(30,31)18-7-2-3-10-23-18)17-6-4-5-14-11-16(25-21(14)17)22-24-12-15(32-22)13-27-19(28)8-9-20(27)29/h2-11,15,25,28-29H,12-13H2,1H3
InChIKeySAGIHOMVJITMLW-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.16
Rot. Bonds6

About N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 90712311) has the molecular formula C22H21N5O4S2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
PubChem CID90712311
Molecular FormulaC22H21N5O4S2
Molecular Weight483.58 g/mol
Exact Mass483.10
IUPAC NameN-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(Cn4c(O)ccc4O)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C22H21N5O4S2/c1-26(33(30,31)18-7-2-3-10-23-18)17-6-4-5-14-11-16(25-21(14)17)22-24-12-15(32-22)13-27-19(28)8-9-20(27)29/h2-11,15,25,28-29H,12-13H2,1H3
InChIKeySAGIHOMVJITMLW-UHFFFAOYSA-N
XLogP3.16
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (CID 90712311) is N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is CN(c1cccc2cc(C3=NCC(Cn4c(O)ccc4O)S3)[nH]c12)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The InChIKey is SAGIHOMVJITMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S2/c1-26(33(30,31)18-7-2-3-10-23-18)17-6-4-5-14-11-16(25-21(14)17)22-24-12-15(32-22)13-27-19(28)8-9-20(27)29/h2-11,15,25,28-29H,12-13H2,1H3.
What are the key properties of N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 483.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 90712311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).