4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C14H18BrFN2O2S — CID 107650210

IUPAC4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)c(F)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C14H18BrFN2O2S/c15-13-6-5-12(8-14(13)16)21(19,20)18(11-3-4-11)9-10-2-1-7-17-10/h5-6,8,10-11,17H,1-4,7,9H2
InChIKeyJVRYABMQDAUSRW-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.49
Rot. Bonds5

About 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 107650210) has the molecular formula C14H18BrFN2O2S and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID107650210
Molecular FormulaC14H18BrFN2O2S
Molecular Weight377.28 g/mol
Exact Mass376.03
IUPAC Name4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)c(F)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C14H18BrFN2O2S/c15-13-6-5-12(8-14(13)16)21(19,20)18(11-3-4-11)9-10-2-1-7-17-10/h5-6,8,10-11,17H,1-4,7,9H2
InChIKeyJVRYABMQDAUSRW-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599610
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
3-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630056
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621759
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106599498

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 107650210) is 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)c(F)c1)N(CC1CCCN1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JVRYABMQDAUSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2S/c15-13-6-5-12(8-14(13)16)21(19,20)18(11-3-4-11)9-10-2-1-7-17-10/h5-6,8,10-11,17H,1-4,7,9H2.
What are the key properties of 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 377.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107650210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).