3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide

C10H11BrFNO2S — CID 163393416

IUPAC3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO2S/c11-9-5-8(3-4-10(9)12)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyXQLHNANAYCAAKX-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.28
Rot. Bonds4

About 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide

3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide (PubChem CID 163393416) has the molecular formula C10H11BrFNO2S and a molecular weight of 308.17 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
PubChem CID163393416
Molecular FormulaC10H11BrFNO2S
Molecular Weight308.17 g/mol
Exact Mass306.97
IUPAC Name3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO2S/c11-9-5-8(3-4-10(9)12)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyXQLHNANAYCAAKX-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane
CID 135227105
3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106612261
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
3-amino-4-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 115328868
3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
CID 106024971
3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide (CID 163393416) is 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The InChIKey is XQLHNANAYCAAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2S/c11-9-5-8(3-4-10(9)12)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2.
What are the key properties of 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide has a molecular weight of 308.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 163393416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).