N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide

C21H22F2N4O4S — CID 91323171

IUPACN-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)C2CC2)cc1)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C21H22F2N4O4S/c22-14-1-8-19(23)18(13-14)20(28)26-9-11-27(12-10-26)21(29)24-15-2-4-16(5-3-15)25-32(30,31)17-6-7-17/h1-5,8,13,17,25H,6-7,9-12H2,(H,24,29)
InChIKeyIUNUKZKDLGUZMC-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.86
Rot. Bonds5

About N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide

N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide (PubChem CID 91323171) has the molecular formula C21H22F2N4O4S and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
PubChem CID91323171
Molecular FormulaC21H22F2N4O4S
Molecular Weight464.49 g/mol
Exact Mass464.13
IUPAC NameN-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)C2CC2)cc1)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C21H22F2N4O4S/c22-14-1-8-19(23)18(13-14)20(28)26-9-11-27(12-10-26)21(29)24-15-2-4-16(5-3-15)25-32(30,31)17-6-7-17/h1-5,8,13,17,25H,6-7,9-12H2,(H,24,29)
InChIKeyIUNUKZKDLGUZMC-UHFFFAOYSA-N
XLogP2.86
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide (CID 91323171) is N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide is O=C(Nc1ccc(NS(=O)(=O)C2CC2)cc1)N1CCN(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide?
The InChIKey is IUNUKZKDLGUZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O4S/c22-14-1-8-19(23)18(13-14)20(28)26-9-11-27(12-10-26)21(29)24-15-2-4-16(5-3-15)25-32(30,31)17-6-7-17/h1-5,8,13,17,25H,6-7,9-12H2,(H,24,29).
What are the key properties of N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide?
N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylsulfonylamino)phenyl]-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 91323171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).