5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide

C16H11Cl2N3O5S4 — CID 58054454

IUPAC5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide
SMILESCOc1cccc2[nH]nc(N(S(=O)(=O)c3ccc(Cl)s3)S(=O)(=O)c3ccc(Cl)s3)c12
InChIInChI=1S/C16H11Cl2N3O5S4/c1-26-10-4-2-3-9-15(10)16(20-19-9)21(29(22,23)13-7-5-11(17)27-13)30(24,25)14-8-6-12(18)28-14/h2-8H,1H3,(H,19,20)
InChIKeyMSXYCPYATZLBMW-UHFFFAOYSA-N
MW524.45 g/mol
LogP4.59
Rot. Bonds6

About 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide

5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide (PubChem CID 58054454) has the molecular formula C16H11Cl2N3O5S4 and a molecular weight of 524.45 g/mol. Its IUPAC name is 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide
PubChem CID58054454
Molecular FormulaC16H11Cl2N3O5S4
Molecular Weight524.45 g/mol
Exact Mass522.90
IUPAC Name5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide
SMILESCOc1cccc2[nH]nc(N(S(=O)(=O)c3ccc(Cl)s3)S(=O)(=O)c3ccc(Cl)s3)c12
InChIInChI=1S/C16H11Cl2N3O5S4/c1-26-10-4-2-3-9-15(10)16(20-19-9)21(29(22,23)13-7-5-11(17)27-13)30(24,25)14-8-6-12(18)28-14/h2-8H,1H3,(H,19,20)
InChIKeyMSXYCPYATZLBMW-UHFFFAOYSA-N
XLogP4.59
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide (CID 58054454) is 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide is COc1cccc2[nH]nc(N(S(=O)(=O)c3ccc(Cl)s3)S(=O)(=O)c3ccc(Cl)s3)c12.
What is the InChIKey of 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is MSXYCPYATZLBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O5S4/c1-26-10-4-2-3-9-15(10)16(20-19-9)21(29(22,23)13-7-5-11(17)27-13)30(24,25)14-8-6-12(18)28-14/h2-8H,1H3,(H,19,20).
What are the key properties of 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide?
5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 524.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 58054454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).