N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide

C19H23BrFN3O5S — CID 71163488

IUPACN-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
SMILESCc1c(Nc2ccc(Br)cc2F)c(NS(=O)(=O)C2(C[C@@H](O)CO)CC2)cn(C)c1=O
InChIInChI=1S/C19H23BrFN3O5S/c1-11-17(22-15-4-3-12(20)7-14(15)21)16(9-24(2)18(11)27)23-30(28,29)19(5-6-19)8-13(26)10-25/h3-4,7,9,13,22-23,25-26H,5-6,8,10H2,1-2H3/t13-/m1/s1
InChIKeyAQCQGNMUSDMVEW-CYBMUJFWSA-N
MW504.38 g/mol
LogP2.36
Rot. Bonds8

About N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide

N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide (PubChem CID 71163488) has the molecular formula C19H23BrFN3O5S and a molecular weight of 504.38 g/mol. Its IUPAC name is N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
PubChem CID71163488
Molecular FormulaC19H23BrFN3O5S
Molecular Weight504.38 g/mol
Exact Mass503.05
IUPAC NameN-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
SMILESCc1c(Nc2ccc(Br)cc2F)c(NS(=O)(=O)C2(C[C@@H](O)CO)CC2)cn(C)c1=O
InChIInChI=1S/C19H23BrFN3O5S/c1-11-17(22-15-4-3-12(20)7-14(15)21)16(9-24(2)18(11)27)23-30(28,29)19(5-6-19)8-13(26)10-25/h3-4,7,9,13,22-23,25-26H,5-6,8,10H2,1-2H3/t13-/m1/s1
InChIKeyAQCQGNMUSDMVEW-CYBMUJFWSA-N
XLogP2.36
TPSA120.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.38
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
CID 46916398
N-[4-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 58990841
1-[(2S)-2,3-dihydroxypropyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 46916360
1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide
CID 123608106
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-methoxyphenyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 140618193
1-(2,3-dihydroxypropyl)-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 91061488
N-[4,5-difluoro-6-(2-fluoro-4-methylanilino)-1,3-benzoxazol-7-yl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 123903956
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
N-[4,5-difluoro-6-(2-fluoro-4-iodoanilino)-1-benzofuran-7-yl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 53241675
1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 143564129

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide?
The IUPAC name of N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide (CID 71163488) is N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide?
The canonical SMILES for N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide is Cc1c(Nc2ccc(Br)cc2F)c(NS(=O)(=O)C2(C[C@@H](O)CO)CC2)cn(C)c1=O.
What is the InChIKey of N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide?
The InChIKey is AQCQGNMUSDMVEW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23BrFN3O5S/c1-11-17(22-15-4-3-12(20)7-14(15)21)16(9-24(2)18(11)27)23-30(28,29)19(5-6-19)8-13(26)10-25/h3-4,7,9,13,22-23,25-26H,5-6,8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide?
N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide has a molecular weight of 504.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 71163488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).