N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide

C16H15BrN4O2S — CID 6539625

IUPACN-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1
InChIInChI=1S/C16H15BrN4O2S/c1-24(22,23)21-14-7-5-13(6-8-14)18-16-10-15(19-20-16)11-3-2-4-12(17)9-11/h2-10,21H,1H3,(H2,18,19,20)
InChIKeyLIPCBHIBAKMSAU-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.95
Rot. Bonds5

About N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide

N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide (PubChem CID 6539625) has the molecular formula C16H15BrN4O2S and a molecular weight of 407.29 g/mol. Its IUPAC name is N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide
PubChem CID6539625
Molecular FormulaC16H15BrN4O2S
Molecular Weight407.29 g/mol
Exact Mass406.01
IUPAC NameN-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1
InChIInChI=1S/C16H15BrN4O2S/c1-24(22,23)21-14-7-5-13(6-8-14)18-16-10-15(19-20-16)11-3-2-4-12(17)9-11/h2-10,21H,1H3,(H2,18,19,20)
InChIKeyLIPCBHIBAKMSAU-UHFFFAOYSA-N
XLogP3.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide (CID 6539625) is N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1.
What is the InChIKey of N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide?
The InChIKey is LIPCBHIBAKMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2S/c1-24(22,23)21-14-7-5-13(6-8-14)18-16-10-15(19-20-16)11-3-2-4-12(17)9-11/h2-10,21H,1H3,(H2,18,19,20).
What are the key properties of N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide?
N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide has a molecular weight of 407.29 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 6539625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).