N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide

C18H16Br2N4O3S2 — CID 91023694

IUPACN-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
SMILESO=C(c1cc(Br)c(Br)cc1NS(=O)(=O)c1nccc2sncc12)N1CCCCC1
InChIInChI=1S/C18H16Br2N4O3S2/c19-13-8-11(18(25)24-6-2-1-3-7-24)15(9-14(13)20)23-29(26,27)17-12-10-22-28-16(12)4-5-21-17/h4-5,8-10,23H,1-3,6-7H2
InChIKeyVCAPHELFIDVKCO-UHFFFAOYSA-N
MW560.29 g/mol
LogP4.64
Rot. Bonds4

About N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide

N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide (PubChem CID 91023694) has the molecular formula C18H16Br2N4O3S2 and a molecular weight of 560.29 g/mol. Its IUPAC name is N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
PubChem CID91023694
Molecular FormulaC18H16Br2N4O3S2
Molecular Weight560.29 g/mol
Exact Mass557.90
IUPAC NameN-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
SMILESO=C(c1cc(Br)c(Br)cc1NS(=O)(=O)c1nccc2sncc12)N1CCCCC1
InChIInChI=1S/C18H16Br2N4O3S2/c19-13-8-11(18(25)24-6-2-1-3-7-24)15(9-14(13)20)23-29(26,27)17-12-10-22-28-16(12)4-5-21-17/h4-5,8-10,23H,1-3,6-7H2
InChIKeyVCAPHELFIDVKCO-UHFFFAOYSA-N
XLogP4.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-yl)-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide
CID 91580605
3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid
CID 91001172
N-[1-(4-bromophenyl)ethyl]-4-chloro-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzamide
CID 91059829
N-[(2,6-dichlorophenyl)methyl]-4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzamide
CID 91544023
3-(3-bromo-4-fluorophenyl)-2-[[4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 75283320
N-[2-(azepane-1-carbonyl)-5-bromophenyl]quinoxaline-5-sulfonamide
CID 11752167
N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide
CID 158101375
(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 25033229
N-[2-(azepane-1-carbonyl)-5-iodophenyl]quinoxaline-5-sulfonamide
CID 11444027
(2,5-dibromo-3-pyridinyl)-piperidin-1-ylmethanone
CID 74787779

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide?
The IUPAC name of N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide (CID 91023694) is N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide.
What is the SMILES notation for N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide?
The canonical SMILES for N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide is O=C(c1cc(Br)c(Br)cc1NS(=O)(=O)c1nccc2sncc12)N1CCCCC1.
What is the InChIKey of N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide?
The InChIKey is VCAPHELFIDVKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N4O3S2/c19-13-8-11(18(25)24-6-2-1-3-7-24)15(9-14(13)20)23-29(26,27)17-12-10-22-28-16(12)4-5-21-17/h4-5,8-10,23H,1-3,6-7H2.
What are the key properties of N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide?
N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide has a molecular weight of 560.29 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-[1,2]thiazolo[4,5-c]pyridine-4-sulfonamide is sourced from PubChem (CID 91023694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).