4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide

C12H16BrFN2O3S — CID 65386993

IUPAC4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H16BrFN2O3S/c1-4-7(2)16(3)12(17)8-5-9(14)11(13)10(6-8)20(15,18)19/h5-7H,4H2,1-3H3,(H2,15,18,19)
InChIKeyKULNUCIHVYKUTF-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.11
Rot. Bonds4

About 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide

4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 65386993) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID65386993
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC Name4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H16BrFN2O3S/c1-4-7(2)16(3)12(17)8-5-9(14)11(13)10(6-8)20(15,18)19/h5-7H,4H2,1-3H3,(H2,15,18,19)
InChIKeyKULNUCIHVYKUTF-UHFFFAOYSA-N
XLogP2.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65388145
4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide
CID 65374812
3-methylbutyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65380255
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
CID 106331541
4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374272
2-ethoxyethyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65381249
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-3-fluorobenzenesulfonyl chloride
CID 65372257
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
N-butan-2-yl-N-methyl-2-sulfamoylbenzamide
CID 43273244

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide (CID 65386993) is 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide is CCC(C)N(C)C(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is KULNUCIHVYKUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c1-4-7(2)16(3)12(17)8-5-9(14)11(13)10(6-8)20(15,18)19/h5-7H,4H2,1-3H3,(H2,15,18,19).
What are the key properties of 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide has a molecular weight of 367.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65386993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).