N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide

C12H10ClN3O2S2 — CID 171055467

IUPACN-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)s1
InChIInChI=1S/C12H10ClN3O2S2/c1-7-14-6-11(19-7)20(17,18)16-10-4-2-3-8-9(13)5-15-12(8)10/h2-6,15-16H,1H3
InChIKeyZCACLEUMMQELHD-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.39
Rot. Bonds3

About N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 171055467) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID171055467
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC NameN-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)s1
InChIInChI=1S/C12H10ClN3O2S2/c1-7-14-6-11(19-7)20(17,18)16-10-4-2-3-8-9(13)5-15-12(8)10/h2-6,15-16H,1H3
InChIKeyZCACLEUMMQELHD-UHFFFAOYSA-N
XLogP3.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 171055467) is N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)s1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ZCACLEUMMQELHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c1-7-14-6-11(19-7)20(17,18)16-10-4-2-3-8-9(13)5-15-12(8)10/h2-6,15-16H,1H3.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 327.82 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171055467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).