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

C22H24F2N4O3S3 — CID 59135822

IUPACN-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CC(F)F)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12
InChIInChI=1S/C22H24F2N4O3S3/c23-19(24)14-28(34(29,30)20-5-2-10-32-20)18-4-1-3-15-11-17(26-21(15)18)22-25-12-16(33-22)13-27-6-8-31-9-7-27/h1-5,10-11,16,19,26H,6-9,12-14H2
InChIKeyFXWVBXNSSORPGQ-UHFFFAOYSA-N
MW526.66 g/mol
LogP3.88
Rot. Bonds8

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

N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 59135822) has the molecular formula C22H24F2N4O3S3 and a molecular weight of 526.66 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID59135822
Molecular FormulaC22H24F2N4O3S3
Molecular Weight526.66 g/mol
Exact Mass526.10
IUPAC NameN-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CC(F)F)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12
InChIInChI=1S/C22H24F2N4O3S3/c23-19(24)14-28(34(29,30)20-5-2-10-32-20)18-4-1-3-15-11-17(26-21(15)18)22-25-12-16(33-22)13-27-6-8-31-9-7-27/h1-5,10-11,16,19,26H,6-9,12-14H2
InChIKeyFXWVBXNSSORPGQ-UHFFFAOYSA-N
XLogP3.88
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 59135822) is N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CC(F)F)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12.
What is the InChIKey of N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is FXWVBXNSSORPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3S3/c23-19(24)14-28(34(29,30)20-5-2-10-32-20)18-4-1-3-15-11-17(26-21(15)18)22-25-12-16(33-22)13-27-6-8-31-9-7-27/h1-5,10-11,16,19,26H,6-9,12-14H2.
What are the key properties of N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 526.66 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59135822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).