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

C18H17F2N3O3S3 — CID 59135815

IUPACN-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(c1cccc2cc(C3=NCC(CCO)S3)[nH]c12)C(F)F
InChIInChI=1S/C18H17F2N3O3S3/c19-18(20)23(29(25,26)15-5-2-8-27-15)14-4-1-3-11-9-13(22-16(11)14)17-21-10-12(28-17)6-7-24/h1-5,8-9,12,18,22,24H,6-7,10H2
InChIKeyQJGPCXFJHJJWSF-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.89
Rot. Bonds7

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

N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 59135815) has the molecular formula C18H17F2N3O3S3 and a molecular weight of 457.55 g/mol. Its IUPAC name is N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID59135815
Molecular FormulaC18H17F2N3O3S3
Molecular Weight457.55 g/mol
Exact Mass457.04
IUPAC NameN-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(c1cccc2cc(C3=NCC(CCO)S3)[nH]c12)C(F)F
InChIInChI=1S/C18H17F2N3O3S3/c19-18(20)23(29(25,26)15-5-2-8-27-15)14-4-1-3-11-9-13(22-16(11)14)17-21-10-12(28-17)6-7-24/h1-5,8-9,12,18,22,24H,6-7,10H2
InChIKeyQJGPCXFJHJJWSF-UHFFFAOYSA-N
XLogP3.89
TPSA85.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(difluoromethyl)-N-{2-[5-(morpholinomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}thiophene-2-sulfonamide
CID 24899516
3-fluoro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carbothioamide
CID 57476215
[2-[7-[difluoromethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl] butanoate
CID 57476328
[2-[7-[2-fluoroethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl] acetate
CID 57476330
2-[2-[7-[2-fluoroethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
CID 57476331
[2-[3-fluoro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl] acetate
CID 57476405
2-(2-{3-fluoro-7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetamide
CID 57476406
N-{2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 57503216
N-[2-(4,5-Dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-3-(trifluoromethyl)-N-{[3-(trifluoromethyl)phenyl]sulfonyl}benzenesulfonamide
CID 57901670
N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-5-fluoro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 57901703
4-Fluoro-1-(methoxymethyl)-7-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carbothioamide
CID 57901724
N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 57901739

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 59135815) is N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(c1cccc2cc(C3=NCC(CCO)S3)[nH]c12)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is QJGPCXFJHJJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3S3/c19-18(20)23(29(25,26)15-5-2-8-27-15)14-4-1-3-11-9-13(22-16(11)14)17-21-10-12(28-17)6-7-24/h1-5,8-9,12,18,22,24H,6-7,10H2.
What are the key properties of N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 457.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59135815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).