N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide

C16H13N5O3S2 — CID 10157032

IUPACN-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(-c2nc3nccnc3[nH]2)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H13N5O3S2/c1-24-12-5-4-10(14-19-15-16(20-14)18-7-6-17-15)9-11(12)21-26(22,23)13-3-2-8-25-13/h2-9,21H,1H3,(H,17,18,19,20)
InChIKeyRQVWZQAHXSPTLM-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.89
Rot. Bonds5

About N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide

N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide (PubChem CID 10157032) has the molecular formula C16H13N5O3S2 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide
PubChem CID10157032
Molecular FormulaC16H13N5O3S2
Molecular Weight387.45 g/mol
Exact Mass387.05
IUPAC NameN-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(-c2nc3nccnc3[nH]2)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H13N5O3S2/c1-24-12-5-4-10(14-19-15-16(20-14)18-7-6-17-15)9-11(12)21-26(22,23)13-3-2-8-25-13/h2-9,21H,1H3,(H,17,18,19,20)
InChIKeyRQVWZQAHXSPTLM-UHFFFAOYSA-N
XLogP2.89
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16771255
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59243189
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 110868467
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide (CID 10157032) is N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide is COc1ccc(-c2nc3nccnc3[nH]2)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide?
The InChIKey is RQVWZQAHXSPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S2/c1-24-12-5-4-10(14-19-15-16(20-14)18-7-6-17-15)9-11(12)21-26(22,23)13-3-2-8-25-13/h2-9,21H,1H3,(H,17,18,19,20).
What are the key properties of N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide?
N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide has a molecular weight of 387.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 10157032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).