4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

C16H15ClN4O2S — CID 122274694

IUPAC4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cn2)cn1
InChIInChI=1S/C16H15ClN4O2S/c1-21-11-13(10-19-21)16-7-2-12(8-18-16)9-20-24(22,23)15-5-3-14(17)4-6-15/h2-8,10-11,20H,9H2,1H3
InChIKeyAFMJPLFXFGHSJD-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.61
Rot. Bonds5

About 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 122274694) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID122274694
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cn2)cn1
InChIInChI=1S/C16H15ClN4O2S/c1-21-11-13(10-19-21)16-7-2-12(8-18-16)9-20-24(22,23)15-5-3-14(17)4-6-15/h2-8,10-11,20H,9H2,1H3
InChIKeyAFMJPLFXFGHSJD-UHFFFAOYSA-N
XLogP2.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
CID 122274631
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122274715
3-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122274699
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide
CID 122274633
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
2-(4-chlorophenoxy)-2-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121022514
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274396
4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196562
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
N-[(4-chlorophenyl)methyl]-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958766

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 122274694) is 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is Cn1cc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cn2)cn1.
What is the InChIKey of 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is AFMJPLFXFGHSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-21-11-13(10-19-21)16-7-2-12(8-18-16)9-20-24(22,23)15-5-3-14(17)4-6-15/h2-8,10-11,20H,9H2,1H3.
What are the key properties of 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 122274694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).