3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide

C11H9BrN2O3S2 — CID 18084682

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C11H9BrN2O3S2/c12-9-4-5-10(18-9)19(16,17)14-8-3-1-2-7(6-8)11(13)15/h1-6,14H,(H2,13,15)
InChIKeyADTBSBUKOIQEOL-UHFFFAOYSA-N
MW361.24 g/mol
LogP2.41
Rot. Bonds4

About 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide

3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide (PubChem CID 18084682) has the molecular formula C11H9BrN2O3S2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
PubChem CID18084682
Molecular FormulaC11H9BrN2O3S2
Molecular Weight361.24 g/mol
Exact Mass359.92
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C11H9BrN2O3S2/c12-9-4-5-10(18-9)19(16,17)14-8-3-1-2-7(6-8)11(13)15/h1-6,14H,(H2,13,15)
InChIKeyADTBSBUKOIQEOL-UHFFFAOYSA-N
XLogP2.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 43343845
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 31580807
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
3-[(5-methylthiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 29298153
5-bromo-N-[3-(1,3-dithiolan-2-yl)phenyl]thiophene-2-sulfonamide
CID 27658375
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
3-(sulfamoylamino)benzamide
CID 57051238
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide (CID 18084682) is 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide is NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The InChIKey is ADTBSBUKOIQEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3S2/c12-9-4-5-10(18-9)19(16,17)14-8-3-1-2-7(6-8)11(13)15/h1-6,14H,(H2,13,15).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide has a molecular weight of 361.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide is sourced from PubChem (CID 18084682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).