N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide

C17H12BrClN2O4S — CID 39344896

IUPACN-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1Br)c1ccco1
InChIInChI=1S/C17H12BrClN2O4S/c18-12-4-1-2-6-16(12)26(23,24)21-13-8-7-11(19)10-14(13)20-17(22)15-5-3-9-25-15/h1-10,21H,(H,20,22)
InChIKeyKJPBLGPQYYUWFL-UHFFFAOYSA-N
MW455.72 g/mol
LogP4.75
Rot. Bonds5

About N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide

N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide (PubChem CID 39344896) has the molecular formula C17H12BrClN2O4S and a molecular weight of 455.72 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide
PubChem CID39344896
Molecular FormulaC17H12BrClN2O4S
Molecular Weight455.72 g/mol
Exact Mass453.94
IUPAC NameN-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1Br)c1ccco1
InChIInChI=1S/C17H12BrClN2O4S/c18-12-4-1-2-6-16(12)26(23,24)21-13-8-7-11(19)10-14(13)20-17(22)15-5-3-9-25-15/h1-10,21H,(H,20,22)
InChIKeyKJPBLGPQYYUWFL-UHFFFAOYSA-N
XLogP4.75
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.72
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]furan-2-carboxamide
CID 39344855
N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide
CID 56582600
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 60537038
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 94660299
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881
N-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-5-chlorophenyl]furan-2-carboxamide
CID 55645244
1-(benzenesulfonyl)-N-[4-chloro-2-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55811797

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide (CID 39344896) is N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1Br)c1ccco1.
What is the InChIKey of N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide?
The InChIKey is KJPBLGPQYYUWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O4S/c18-12-4-1-2-6-16(12)26(23,24)21-13-8-7-11(19)10-14(13)20-17(22)15-5-3-9-25-15/h1-10,21H,(H,20,22).
What are the key properties of N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide?
N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide has a molecular weight of 455.72 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 39344896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).