5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide

C14H21BrN2O3S — CID 95786902

IUPAC5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)N[C@H](C)C(C)(C)C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-8-11(13(18)17-9(2)14(3,4)5)6-10(15)7-12(8)21(16,19)20/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20)/t9-/m1/s1
InChIKeyFJPDBJHTZXUOQZ-SECBINFHSA-N
MW377.30 g/mol
LogP2.57
Rot. Bonds3

About 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide

5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide (PubChem CID 95786902) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
PubChem CID95786902
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)N[C@H](C)C(C)(C)C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-8-11(13(18)17-9(2)14(3,4)5)6-10(15)7-12(8)21(16,19)20/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20)/t9-/m1/s1
InChIKeyFJPDBJHTZXUOQZ-SECBINFHSA-N
XLogP2.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785
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CID 65373125
3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 104830398
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
5-bromo-2-methyl-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368840
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
CID 113458101
5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide (CID 95786902) is 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide is Cc1c(C(=O)N[C@H](C)C(C)(C)C)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide?
The InChIKey is FJPDBJHTZXUOQZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-8-11(13(18)17-9(2)14(3,4)5)6-10(15)7-12(8)21(16,19)20/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20)/t9-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide?
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 95786902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).