N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

C12H15BrFN3O3S — CID 116530631

IUPACN-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESNc1cc(S(=O)(=O)NCCNC(=O)C2CC2)c(F)cc1Br
InChIInChI=1S/C12H15BrFN3O3S/c13-8-5-9(14)11(6-10(8)15)21(19,20)17-4-3-16-12(18)7-1-2-7/h5-7,17H,1-4,15H2,(H,16,18)
InChIKeyRVYZGOCHEYSZQT-UHFFFAOYSA-N
MW380.24 g/mol
LogP0.97
Rot. Bonds6

About N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 116530631) has the molecular formula C12H15BrFN3O3S and a molecular weight of 380.24 g/mol. Its IUPAC name is N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID116530631
Molecular FormulaC12H15BrFN3O3S
Molecular Weight380.24 g/mol
Exact Mass379.00
IUPAC NameN-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESNc1cc(S(=O)(=O)NCCNC(=O)C2CC2)c(F)cc1Br
InChIInChI=1S/C12H15BrFN3O3S/c13-8-5-9(14)11(6-10(8)15)21(19,20)17-4-3-16-12(18)7-1-2-7/h5-7,17H,1-4,15H2,(H,16,18)
InChIKeyRVYZGOCHEYSZQT-UHFFFAOYSA-N
XLogP0.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide
CID 116530612
5-amino-4-bromo-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464970
5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 116530422
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115685407
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151
tert-butyl N-[2-[(5-amino-2,4-difluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932750
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
CID 116529819
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
5-amino-4-bromo-2-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413590

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (CID 116530631) is N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is Nc1cc(S(=O)(=O)NCCNC(=O)C2CC2)c(F)cc1Br.
What is the InChIKey of N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is RVYZGOCHEYSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O3S/c13-8-5-9(14)11(6-10(8)15)21(19,20)17-4-3-16-12(18)7-1-2-7/h5-7,17H,1-4,15H2,(H,16,18).
What are the key properties of N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 380.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 116530631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).