3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide

C12H11BrN2O4S2 — CID 61062315

IUPAC3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C12H11BrN2O4S2/c1-19-10-3-2-7(11(14)16)6-9(10)15-21(17,18)12-8(13)4-5-20-12/h2-6,15H,1H3,(H2,14,16)
InChIKeyRDZZMFHZBSFSTE-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.42
Rot. Bonds5

About 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide

3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide (PubChem CID 61062315) has the molecular formula C12H11BrN2O4S2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide
PubChem CID61062315
Molecular FormulaC12H11BrN2O4S2
Molecular Weight391.27 g/mol
Exact Mass389.93
IUPAC Name3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C12H11BrN2O4S2/c1-19-10-3-2-7(11(14)16)6-9(10)15-21(17,18)12-8(13)4-5-20-12/h2-6,15H,1H3,(H2,14,16)
InChIKeyRDZZMFHZBSFSTE-UHFFFAOYSA-N
XLogP2.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
4-methoxy-3-[(2-methylsulfonylphenyl)sulfonylamino]benzamide
CID 55901057
N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
CID 61458011
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072
2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide?
The IUPAC name of 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide (CID 61062315) is 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide?
The InChIKey is RDZZMFHZBSFSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4S2/c1-19-10-3-2-7(11(14)16)6-9(10)15-21(17,18)12-8(13)4-5-20-12/h2-6,15H,1H3,(H2,14,16).
What are the key properties of 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide?
3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide has a molecular weight of 391.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide is sourced from PubChem (CID 61062315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).