N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide

C18H15BrN4O2S — CID 71845175

IUPACN-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide
SMILESCCc1c(NS(=O)(=O)c2ccc(C#N)cc2)n[nH]c1-c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN4O2S/c1-2-16-17(13-5-7-14(19)8-6-13)21-22-18(16)23-26(24,25)15-9-3-12(11-20)4-10-15/h3-10H,2H2,1H3,(H2,21,22,23)
InChIKeySFNMEYIMLRGHJS-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.07
Rot. Bonds5

About N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide

N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide (PubChem CID 71845175) has the molecular formula C18H15BrN4O2S and a molecular weight of 431.32 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide
PubChem CID71845175
Molecular FormulaC18H15BrN4O2S
Molecular Weight431.32 g/mol
Exact Mass430.01
IUPAC NameN-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide
SMILESCCc1c(NS(=O)(=O)c2ccc(C#N)cc2)n[nH]c1-c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN4O2S/c1-2-16-17(13-5-7-14(19)8-6-13)21-22-18(16)23-26(24,25)15-9-3-12(11-20)4-10-15/h3-10H,2H2,1H3,(H2,21,22,23)
InChIKeySFNMEYIMLRGHJS-UHFFFAOYSA-N
XLogP4.07
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 75385748
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 25044636
N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 102671853
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401
N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 43551010

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide?
The IUPAC name of N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide (CID 71845175) is N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide?
The canonical SMILES for N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide is CCc1c(NS(=O)(=O)c2ccc(C#N)cc2)n[nH]c1-c1ccc(Br)cc1.
What is the InChIKey of N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide?
The InChIKey is SFNMEYIMLRGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2S/c1-2-16-17(13-5-7-14(19)8-6-13)21-22-18(16)23-26(24,25)15-9-3-12(11-20)4-10-15/h3-10H,2H2,1H3,(H2,21,22,23).
What are the key properties of N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide?
N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide has a molecular weight of 431.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide is sourced from PubChem (CID 71845175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).