N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide

C17H17N3O2S — CID 22203135

IUPACN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccccc1Cn1cc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C17H17N3O2S/c1-14-7-5-6-8-15(14)12-20-13-16(11-18-20)19-23(21,22)17-9-3-2-4-10-17/h2-11,13,19H,12H2,1H3
InChIKeyMHJQTYCGZZBAHH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 22203135) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID22203135
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccccc1Cn1cc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C17H17N3O2S/c1-14-7-5-6-8-15(14)12-20-13-16(11-18-20)19-23(21,22)17-9-3-2-4-10-17/h2-11,13,19H,12H2,1H3
InChIKeyMHJQTYCGZZBAHH-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
2-[[4-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid
CID 162495903
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 22204566
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204570
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204580
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22204834
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-nitrobenzenesulfonamide
CID 4772592
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide
CID 22204607
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide (CID 22203135) is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide is Cc1ccccc1Cn1cc(NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is MHJQTYCGZZBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-14-7-5-6-8-15(14)12-20-13-16(11-18-20)19-23(21,22)17-9-3-2-4-10-17/h2-11,13,19H,12H2,1H3.
What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22203135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).