N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide

C11H8ClN3O2S2 — CID 171055487

IUPACN-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnsc1
InChIInChI=1S/C11H8ClN3O2S2/c12-9-5-13-11-8(9)2-1-3-10(11)15-19(16,17)7-4-14-18-6-7/h1-6,13,15H
InChIKeyIZEFYKBBEXZVCM-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.08
Rot. Bonds3

About N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide

N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide (PubChem CID 171055487) has the molecular formula C11H8ClN3O2S2 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
PubChem CID171055487
Molecular FormulaC11H8ClN3O2S2
Molecular Weight313.79 g/mol
Exact Mass312.97
IUPAC NameN-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnsc1
InChIInChI=1S/C11H8ClN3O2S2/c12-9-5-13-11-8(9)2-1-3-10(11)15-19(16,17)7-4-14-18-6-7/h1-6,13,15H
InChIKeyIZEFYKBBEXZVCM-UHFFFAOYSA-N
XLogP3.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664660
N-(3-chloro-2H-indazol-7-yl)-1,2-thiazole-4-sulfonamide
CID 170949844
4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 147916945
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole
CID 67079891
N-(3-chloro-1H-indol-7-yl)-4-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 22228535
N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide
CID 170949418
4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide
CID 169181732
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide (CID 171055487) is N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide is O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1cnsc1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide?
The InChIKey is IZEFYKBBEXZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2S2/c12-9-5-13-11-8(9)2-1-3-10(11)15-19(16,17)7-4-14-18-6-7/h1-6,13,15H.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide?
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide has a molecular weight of 313.79 g/mol, XLogP of 3.08, 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)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 171055487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).