3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide

C19H20BrFN2O3S — CID 26426569

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H20BrFN2O3S/c20-15-3-9-18(10-4-15)27(25,26)22-12-11-19(24)23(17-7-8-17)13-14-1-5-16(21)6-2-14/h1-6,9-10,17,22H,7-8,11-13H2
InChIKeyDEGUYUHSXYOTCY-UHFFFAOYSA-N
MW455.35 g/mol
LogP3.45
Rot. Bonds8

About 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 26426569) has the molecular formula C19H20BrFN2O3S and a molecular weight of 455.35 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID26426569
Molecular FormulaC19H20BrFN2O3S
Molecular Weight455.35 g/mol
Exact Mass454.04
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H20BrFN2O3S/c20-15-3-9-18(10-4-15)27(25,26)22-12-11-19(24)23(17-7-8-17)13-14-1-5-16(21)6-2-14/h1-6,9-10,17,22H,7-8,11-13H2
InChIKeyDEGUYUHSXYOTCY-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29304699
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 9479145
3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112816229
3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 60936843
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441195
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide (CID 26426569) is 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is DEGUYUHSXYOTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3S/c20-15-3-9-18(10-4-15)27(25,26)22-12-11-19(24)23(17-7-8-17)13-14-1-5-16(21)6-2-14/h1-6,9-10,17,22H,7-8,11-13H2.
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 455.35 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 26426569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).