3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide

C13H17BrN2O4S — CID 82749448

IUPAC3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
SMILESCc1c(Br)cc(S(N)(=O)=O)cc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C13H17BrN2O4S/c1-8-11(5-10(6-12(8)14)21(15,18)19)13(17)16(2)9-3-4-20-7-9/h5-6,9H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeySAHYTESWNVDPKA-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.27
Rot. Bonds3

About 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide

3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide (PubChem CID 82749448) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
PubChem CID82749448
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
SMILESCc1c(Br)cc(S(N)(=O)=O)cc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C13H17BrN2O4S/c1-8-11(5-10(6-12(8)14)21(15,18)19)13(17)16(2)9-3-4-20-7-9/h5-6,9H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeySAHYTESWNVDPKA-UHFFFAOYSA-N
XLogP1.27
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
4-bromo-3-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82744577
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
CID 82749561
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
4-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82749000
2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 82748225
3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
CID 104538212
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
CID 113258754

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide (CID 82749448) is 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide is Cc1c(Br)cc(S(N)(=O)=O)cc1C(=O)N(C)C1CCOC1.
What is the InChIKey of 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide?
The InChIKey is SAHYTESWNVDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c1-8-11(5-10(6-12(8)14)21(15,18)19)13(17)16(2)9-3-4-20-7-9/h5-6,9H,3-4,7H2,1-2H3,(H2,15,18,19).
What are the key properties of 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide?
3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide has a molecular weight of 377.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 82749448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).