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

C17H14ClN3O3S3 — CID 57476034

IUPACN-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2c(Cl)c(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H14ClN3O3S3/c1-21(27(23,24)13-6-3-7-25-13)12-5-2-4-11-14(18)16(20-15(11)12)17-19-8-10(9-22)26-17/h2-8,20,22H,9H2,1H3
InChIKeyMCHJJCPPSVOGLO-UHFFFAOYSA-N
MW439.97 g/mol
LogP4.32
Rot. Bonds5

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

N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 57476034) has the molecular formula C17H14ClN3O3S3 and a molecular weight of 439.97 g/mol. Its IUPAC name is N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID57476034
Molecular FormulaC17H14ClN3O3S3
Molecular Weight439.97 g/mol
Exact Mass438.99
IUPAC NameN-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2c(Cl)c(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H14ClN3O3S3/c1-21(27(23,24)13-6-3-7-25-13)12-5-2-4-11-14(18)16(20-15(11)12)17-19-8-10(9-22)26-17/h2-8,20,22H,9H2,1H3
InChIKeyMCHJJCPPSVOGLO-UHFFFAOYSA-N
XLogP4.32
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055506
N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 171664668
N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 11978592
N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 57901739
N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 67487405
N-ethyl-N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 67487438
N-(3-chloro-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 170949812
N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 170949565
N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 171055467
N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
CID 171664649
N-{4-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl}-N-methylthiophene-2-sulfonamide
CID 11948702
N-Ethyl-N-{2-[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]-4-methyl-1H-indol-7-yl}thiophene-2-sulfonamide
CID 53629103

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 57476034) is N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1cccc2c(Cl)c(-c3ncc(CO)s3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is MCHJJCPPSVOGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S3/c1-21(27(23,24)13-6-3-7-25-13)12-5-2-4-11-14(18)16(20-15(11)12)17-19-8-10(9-22)26-17/h2-8,20,22H,9H2,1H3.
What are the key properties of N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 439.97 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 57476034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).