2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide

C13H13BrN2O3S2 — CID 61062884

IUPAC2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H13BrN2O3S2/c1-16(2)12(17)9-5-3-4-6-11(9)15-21(18,19)13-10(14)7-8-20-13/h3-8,15H,1-2H3
InChIKeyITSYSQHZZAFSBS-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.01
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide

2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 61062884) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID61062884
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H13BrN2O3S2/c1-16(2)12(17)9-5-3-4-6-11(9)15-21(18,19)13-10(14)7-8-20-13/h3-8,15H,1-2H3
InChIKeyITSYSQHZZAFSBS-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 62536493
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814262
N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
CID 64894470
2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 61061552
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 61456046
3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 166428996
3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid
CID 63408850
3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide (CID 61062884) is 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is ITSYSQHZZAFSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c1-16(2)12(17)9-5-3-4-6-11(9)15-21(18,19)13-10(14)7-8-20-13/h3-8,15H,1-2H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide?
2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 389.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 61062884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).