5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide

C13H9Cl2N5O2S — CID 155193649

IUPAC5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1Cl
InChIInChI=1S/C13H9Cl2N5O2S/c1-20-13(15)10(6-18-20)23(21,22)19-9-3-2-8(14)11-7(4-16)5-17-12(9)11/h2-3,5-6,17,19H,1H3
InChIKeyJLYUUWAFZBLJOM-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.88
Rot. Bonds3

About 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide

5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 155193649) has the molecular formula C13H9Cl2N5O2S and a molecular weight of 370.22 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID155193649
Molecular FormulaC13H9Cl2N5O2S
Molecular Weight370.22 g/mol
Exact Mass368.99
IUPAC Name5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1Cl
InChIInChI=1S/C13H9Cl2N5O2S/c1-20-13(15)10(6-18-20)23(21,22)19-9-3-2-8(14)11-7(4-16)5-17-12(9)11/h2-3,5-6,17,19H,1H3
InChIKeyJLYUUWAFZBLJOM-UHFFFAOYSA-N
XLogP2.88
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 177228426
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(1-cyanocyclopropyl)methyl]pyrazole-4-sulfonamide
CID 155193526
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
3-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193590
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
CID 11175421
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide
CID 155193523

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide (CID 155193649) is 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide is Cn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1Cl.
What is the InChIKey of 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is JLYUUWAFZBLJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O2S/c1-20-13(15)10(6-18-20)23(21,22)19-9-3-2-8(14)11-7(4-16)5-17-12(9)11/h2-3,5-6,17,19H,1H3.
What are the key properties of 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide?
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 370.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 155193649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).