N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide

C18H20N4O2S — CID 143574506

IUPACN-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccccc2)c2cc(N)n[nH]2)cc1
InChIInChI=1S/C18H20N4O2S/c1-13-7-9-15(10-8-13)25(23,24)22-17(16-12-18(19)21-20-16)11-14-5-3-2-4-6-14/h2-10,12,17,22H,11H2,1H3,(H3,19,20,21)
InChIKeyBMTXPTIIZSBGLR-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.56
Rot. Bonds6

About N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide

N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 143574506) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID143574506
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccccc2)c2cc(N)n[nH]2)cc1
InChIInChI=1S/C18H20N4O2S/c1-13-7-9-15(10-8-13)25(23,24)22-17(16-12-18(19)21-20-16)11-14-5-3-2-4-6-14/h2-10,12,17,22H,11H2,1H3,(H3,19,20,21)
InChIKeyBMTXPTIIZSBGLR-UHFFFAOYSA-N
XLogP2.56
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide
CID 134836485
4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
CID 50993309
N-[(2S)-3-benzyl-3-hydroxy-1,4-diphenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24799695
N-[(2S)-3-ethyl-3-hydroxy-1-phenylpentan-2-yl]-4-methylbenzenesulfonamide
CID 11382871

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide (CID 143574506) is N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)c2cc(N)n[nH]2)cc1.
What is the InChIKey of N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is BMTXPTIIZSBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-7-9-15(10-8-13)25(23,24)22-17(16-12-18(19)21-20-16)11-14-5-3-2-4-6-14/h2-10,12,17,22H,11H2,1H3,(H3,19,20,21).
What are the key properties of N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide?
N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-1H-pyrazol-5-yl)-2-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 143574506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).