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

C16H8Cl2N4O4S4 — CID 58054472

IUPAC5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide
SMILESN#Cc1cccc2[nH]nc(N(S(=O)(=O)c3ccc(Cl)s3)S(=O)(=O)c3ccc(Cl)s3)c12
InChIInChI=1S/C16H8Cl2N4O4S4/c17-11-4-6-13(27-11)29(23,24)22(30(25,26)14-7-5-12(18)28-14)16-15-9(8-19)2-1-3-10(15)20-21-16/h1-7H,(H,20,21)
InChIKeyDTBSHPAFVIGDQX-UHFFFAOYSA-N
MW519.44 g/mol
LogP4.45
Rot. Bonds5

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

5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide (PubChem CID 58054472) has the molecular formula C16H8Cl2N4O4S4 and a molecular weight of 519.44 g/mol. Its IUPAC name is 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide
PubChem CID58054472
Molecular FormulaC16H8Cl2N4O4S4
Molecular Weight519.44 g/mol
Exact Mass517.88
IUPAC Name5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide
SMILESN#Cc1cccc2[nH]nc(N(S(=O)(=O)c3ccc(Cl)s3)S(=O)(=O)c3ccc(Cl)s3)c12
InChIInChI=1S/C16H8Cl2N4O4S4/c17-11-4-6-13(27-11)29(23,24)22(30(25,26)14-7-5-12(18)28-14)16-15-9(8-19)2-1-3-10(15)20-21-16/h1-7H,(H,20,21)
InChIKeyDTBSHPAFVIGDQX-UHFFFAOYSA-N
XLogP4.45
TPSA123.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide
CID 58054454
3-amino-1H-indazole-4-carbonitrile
CID 54016394
5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide
CID 110723168
5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022728
N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide
CID 66664271
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79716907
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-cyanoindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456021
5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide
CID 75478474
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 119978813
5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide
CID 106272595
N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide
CID 43460927

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide (CID 58054472) is 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide is N#Cc1cccc2[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-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is DTBSHPAFVIGDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N4O4S4/c17-11-4-6-13(27-11)29(23,24)22(30(25,26)14-7-5-12(18)28-14)16-15-9(8-19)2-1-3-10(15)20-21-16/h1-7H,(H,20,21).
What are the key properties of 5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide?
5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 519.44 g/mol, XLogP of 4.45, 5 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-cyano-1H-indazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 58054472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).