N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide

C13H9ClN4O2S2 — CID 177228426

IUPACN-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)sn1
InChIInChI=1S/C13H9ClN4O2S2/c1-7-4-11(21-17-7)22(19,20)18-10-3-2-9(14)12-8(5-15)6-16-13(10)12/h2-4,6,16,18H,1H3
InChIKeyWGFIXVNNVKQQLN-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.26
Rot. Bonds3

About N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide

N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide (PubChem CID 177228426) has the molecular formula C13H9ClN4O2S2 and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
PubChem CID177228426
Molecular FormulaC13H9ClN4O2S2
Molecular Weight352.83 g/mol
Exact Mass351.99
IUPAC NameN-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)sn1
InChIInChI=1S/C13H9ClN4O2S2/c1-7-4-11(21-17-7)22(19,20)18-10-3-2-9(14)12-8(5-15)6-16-13(10)12/h2-4,6,16,18H,1H3
InChIKeyWGFIXVNNVKQQLN-UHFFFAOYSA-N
XLogP3.26
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193606
N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide
CID 155193473
2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 170949375
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
3-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193590
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(1-cyanocyclopropyl)methyl]pyrazole-4-sulfonamide
CID 155193526
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
CID 11175421

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide?
The IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide (CID 177228426) is N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)sn1.
What is the InChIKey of N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide?
The InChIKey is WGFIXVNNVKQQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2S2/c1-7-4-11(21-17-7)22(19,20)18-10-3-2-9(14)12-8(5-15)6-16-13(10)12/h2-4,6,16,18H,1H3.
What are the key properties of N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide?
N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide has a molecular weight of 352.83 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide is sourced from PubChem (CID 177228426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).