N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide

C20H17N3O5S3 — CID 56646090

IUPACN-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2NS(=O)(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C20H17N3O5S3/c1-28-15-8-10-16(11-9-15)30(24,25)22-17-6-4-12-21-20(17)23-31(26,27)19-13-14-5-2-3-7-18(14)29-19/h2-13,22H,1H3,(H,21,23)
InChIKeyKLLPARNHHGMSQN-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.91
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide

N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide (PubChem CID 56646090) has the molecular formula C20H17N3O5S3 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide
PubChem CID56646090
Molecular FormulaC20H17N3O5S3
Molecular Weight475.57 g/mol
Exact Mass475.03
IUPAC NameN-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2NS(=O)(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C20H17N3O5S3/c1-28-15-8-10-16(11-9-15)30(24,25)22-17-6-4-12-21-20(17)23-31(26,27)19-13-14-5-2-3-7-18(14)29-19/h2-13,22H,1H3,(H,21,23)
InChIKeyKLLPARNHHGMSQN-UHFFFAOYSA-N
XLogP3.91
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide
CID 11577357
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15293874
4-hydroxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294805
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
[4-[[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]amino]phenyl] hydrogen sulfate
CID 15294822
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpyridine-3-carboxamide
CID 15293871
N-(3-chloropyrazin-2-yl)-4-methoxybenzenesulfonamide
CID 102989975
N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide
CID 11505180
N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide
CID 67819520

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide (CID 56646090) is N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2NS(=O)(=O)c2cc3ccccc3s2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is KLLPARNHHGMSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S3/c1-28-15-8-10-16(11-9-15)30(24,25)22-17-6-4-12-21-20(17)23-31(26,27)19-13-14-5-2-3-7-18(14)29-19/h2-13,22H,1H3,(H,21,23).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide?
N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 475.57 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 56646090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).