2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide

C12H11BrN2O3S2 — CID 26268701

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrN2O3S2/c1-14-12(16)8-4-2-3-5-9(8)15-20(17,18)11-7-6-10(13)19-11/h2-7,15H,1H3,(H,14,16)
InChIKeyPFHJZLZQPNCQJM-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.67
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide (PubChem CID 26268701) has the molecular formula C12H11BrN2O3S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
PubChem CID26268701
Molecular FormulaC12H11BrN2O3S2
Molecular Weight375.27 g/mol
Exact Mass373.94
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrN2O3S2/c1-14-12(16)8-4-2-3-5-9(8)15-20(17,18)11-7-6-10(13)19-11/h2-7,15H,1H3,(H,14,16)
InChIKeyPFHJZLZQPNCQJM-UHFFFAOYSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 31580807
4-[(5-bromothiophen-2-yl)sulfonylamino]-N,1-dimethylpyrazole-3-carboxamide
CID 17022601
2-[(2-aminophenyl)sulfonylamino]-N-methylbenzamide
CID 43576281
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 2706682
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 24670756
2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide
CID 91969524
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide
CID 60721981
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]benzoate
CID 79912735
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 25037312

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide (CID 26268701) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide?
The InChIKey is PFHJZLZQPNCQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S2/c1-14-12(16)8-4-2-3-5-9(8)15-20(17,18)11-7-6-10(13)19-11/h2-7,15H,1H3,(H,14,16).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide has a molecular weight of 375.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 26268701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).