N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide

C17H19BrClN3O4S — CID 24759553

IUPACN-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
SMILESCn1cc(NS(=O)(=O)C2(CCO)CC2)c(Nc2ccc(Br)cc2Cl)cc1=O
InChIInChI=1S/C17H19BrClN3O4S/c1-22-10-15(21-27(25,26)17(4-5-17)6-7-23)14(9-16(22)24)20-13-3-2-11(18)8-12(13)19/h2-3,8-10,20-21,23H,4-7H2,1H3
InChIKeyWVKMLQLJJJTCJY-UHFFFAOYSA-N
MW476.78 g/mol
LogP3.20
Rot. Bonds7

About N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide

N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (PubChem CID 24759553) has the molecular formula C17H19BrClN3O4S and a molecular weight of 476.78 g/mol. Its IUPAC name is N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
PubChem CID24759553
Molecular FormulaC17H19BrClN3O4S
Molecular Weight476.78 g/mol
Exact Mass475.00
IUPAC NameN-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
SMILESCn1cc(NS(=O)(=O)C2(CCO)CC2)c(Nc2ccc(Br)cc2Cl)cc1=O
InChIInChI=1S/C17H19BrClN3O4S/c1-22-10-15(21-27(25,26)17(4-5-17)6-7-23)14(9-16(22)24)20-13-3-2-11(18)8-12(13)19/h2-3,8-10,20-21,23H,4-7H2,1H3
InChIKeyWVKMLQLJJJTCJY-UHFFFAOYSA-N
XLogP3.20
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.78
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide with MolForge

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Related Compounds

N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[3-hydroxy-2-(hydroxymethyl)propyl]cyclopropane-1-sulfonamide
CID 58990823
N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 58990825
N-[4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxo-5-(trifluoromethyl)pyridin-3-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 58990838
N-[4-(4-bromo-2-fluoroanilino)-1-(methoxymethyl)-5-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 70840175
N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfinamide
CID 143564139
N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide
CID 24759454
N-[4-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 57458188
N-[4-(4-bromo-2-chloroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfonamide
CID 57458192
N-[4-(4-bromo-2-chloroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 58990837
2-[1-[[4-(4-Bromo-2-chloroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]sulfamoyl]cyclopropyl]acetic acid
CID 58990840
N-[4-(4-bromo-2-chloroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 58990849
N-[4-(2-chloro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 68372735

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The IUPAC name of N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (CID 24759553) is N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is Cn1cc(NS(=O)(=O)C2(CCO)CC2)c(Nc2ccc(Br)cc2Cl)cc1=O.
What is the InChIKey of N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The InChIKey is WVKMLQLJJJTCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN3O4S/c1-22-10-15(21-27(25,26)17(4-5-17)6-7-23)14(9-16(22)24)20-13-3-2-11(18)8-12(13)19/h2-3,8-10,20-21,23H,4-7H2,1H3.
What are the key properties of N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide has a molecular weight of 476.78 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-2-chloroanilino)-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 24759553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).