N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide

C24H20N4O5S3 — CID 11699508

IUPACN-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide
SMILESCOc1cc(-n2ccnc2)ccc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1cc2ccccc2s1
InChIInChI=1S/C24H20N4O5S3/c1-33-21-15-18(28-13-12-25-16-28)10-11-23(21)35(29,30)26-19-7-3-4-8-20(19)27-36(31,32)24-14-17-6-2-5-9-22(17)34-24/h2-16,26-27H,1H3
InChIKeyGIPOQJFOZCLPAY-UHFFFAOYSA-N
MW540.65 g/mol
LogP4.70
Rot. Bonds8

About N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide

N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide (PubChem CID 11699508) has the molecular formula C24H20N4O5S3 and a molecular weight of 540.65 g/mol. Its IUPAC name is N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide
PubChem CID11699508
Molecular FormulaC24H20N4O5S3
Molecular Weight540.65 g/mol
Exact Mass540.06
IUPAC NameN-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide
SMILESCOc1cc(-n2ccnc2)ccc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1cc2ccccc2s1
InChIInChI=1S/C24H20N4O5S3/c1-33-21-15-18(28-13-12-25-16-28)10-11-23(21)35(29,30)26-19-7-3-4-8-20(19)27-36(31,32)24-14-17-6-2-5-9-22(17)34-24/h2-16,26-27H,1H3
InChIKeyGIPOQJFOZCLPAY-UHFFFAOYSA-N
XLogP4.70
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.65
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide
CID 11577357
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CID 11671771
N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide
CID 56646090
N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide
CID 11505180
N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide
CID 121135249
3-[[2-(1-benzothiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-4-hydroxybenzoic acid
CID 70326777
N-(6-imidazol-1-yl-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)-2-methoxybenzenesulfonamide
CID 155564141
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
4-imidazol-1-yl-2-methoxybenzamide
CID 59564308
1-naphthalen-2-ylimidazole
CID 23644748
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide (CID 11699508) is N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide is COc1cc(-n2ccnc2)ccc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is GIPOQJFOZCLPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5S3/c1-33-21-15-18(28-13-12-25-16-28)10-11-23(21)35(29,30)26-19-7-3-4-8-20(19)27-36(31,32)24-14-17-6-2-5-9-22(17)34-24/h2-16,26-27H,1H3.
What are the key properties of N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide?
N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 540.65 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-imidazol-1-yl-2-methoxyphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 11699508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).