N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide

C24H16Cl2N4O3S2 — CID 91530525

IUPACN-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12)c1cccs1
InChIInChI=1S/C24H16Cl2N4O3S2/c25-18-3-1-5-21(22(18)26)35(32,33)30-16-9-6-14(7-10-16)15-8-11-17-19(13-15)28-29-23(17)27-24(31)20-4-2-12-34-20/h1-13,30H,(H2,27,28,29,31)
InChIKeyPSDDRQBFFKMHJB-UHFFFAOYSA-N
MW543.46 g/mol
LogP6.65
Rot. Bonds6

About N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide

N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide (PubChem CID 91530525) has the molecular formula C24H16Cl2N4O3S2 and a molecular weight of 543.46 g/mol. Its IUPAC name is N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide
PubChem CID91530525
Molecular FormulaC24H16Cl2N4O3S2
Molecular Weight543.46 g/mol
Exact Mass542.00
IUPAC NameN-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12)c1cccs1
InChIInChI=1S/C24H16Cl2N4O3S2/c25-18-3-1-5-21(22(18)26)35(32,33)30-16-9-6-14(7-10-16)15-8-11-17-19(13-15)28-29-23(17)27-24(31)20-4-2-12-34-20/h1-13,30H,(H2,27,28,29,31)
InChIKeyPSDDRQBFFKMHJB-UHFFFAOYSA-N
XLogP6.65
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.46
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide (CID 91530525) is N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide is O=C(Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12)c1cccs1.
What is the InChIKey of N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is PSDDRQBFFKMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O3S2/c25-18-3-1-5-21(22(18)26)35(32,33)30-16-9-6-14(7-10-16)15-8-11-17-19(13-15)28-29-23(17)27-24(31)20-4-2-12-34-20/h1-13,30H,(H2,27,28,29,31).
What are the key properties of N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide?
N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 543.46 g/mol, XLogP of 6.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).