N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide

C23H26BrN5O3S2 — CID 71539262

IUPACN-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide
SMILESCCN(c1cc(Br)cc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C23H26BrN5O3S2/c1-2-29(34(30,31)21-5-3-4-6-25-21)20-13-17(24)11-16-12-19(27-22(16)20)23-26-14-18(33-23)15-28-7-9-32-10-8-28/h3-6,11-13,18,27H,2,7-10,14-15H2,1H3
InChIKeyVMWUIFJRXIPMJE-UHFFFAOYSA-N
MW564.53 g/mol
LogP3.73
Rot. Bonds7

About N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide

N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide (PubChem CID 71539262) has the molecular formula C23H26BrN5O3S2 and a molecular weight of 564.53 g/mol. Its IUPAC name is N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide
PubChem CID71539262
Molecular FormulaC23H26BrN5O3S2
Molecular Weight564.53 g/mol
Exact Mass563.07
IUPAC NameN-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide
SMILESCCN(c1cc(Br)cc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C23H26BrN5O3S2/c1-2-29(34(30,31)21-5-3-4-6-25-21)20-13-17(24)11-16-12-19(27-22(16)20)23-26-14-18(33-23)15-28-7-9-32-10-8-28/h3-6,11-13,18,27H,2,7-10,14-15H2,1H3
InChIKeyVMWUIFJRXIPMJE-UHFFFAOYSA-N
XLogP3.73
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide?
The IUPAC name of N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide (CID 71539262) is N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide.
What is the SMILES notation for N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide?
The canonical SMILES for N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide is CCN(c1cc(Br)cc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide?
The InChIKey is VMWUIFJRXIPMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5O3S2/c1-2-29(34(30,31)21-5-3-4-6-25-21)20-13-17(24)11-16-12-19(27-22(16)20)23-26-14-18(33-23)15-28-7-9-32-10-8-28/h3-6,11-13,18,27H,2,7-10,14-15H2,1H3.
What are the key properties of N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide?
N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide has a molecular weight of 564.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide is sourced from PubChem (CID 71539262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).