3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine

C21H21ClN4O2S — CID 118628335

IUPAC3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(Cl)nc1Nc1cc(C(C2CC2)C2CC2)[nH]n1
InChIInChI=1S/C21H21ClN4O2S/c22-18-11-10-17(29(27,28)15-4-2-1-3-5-15)21(23-18)24-19-12-16(25-26-19)20(13-6-7-13)14-8-9-14/h1-5,10-14,20H,6-9H2,(H2,23,24,25,26)
InChIKeyLNWKMRKVPUMUDN-UHFFFAOYSA-N
MW428.95 g/mol
LogP4.94
Rot. Bonds7

About 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine

3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine (PubChem CID 118628335) has the molecular formula C21H21ClN4O2S and a molecular weight of 428.95 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
PubChem CID118628335
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.95 g/mol
Exact Mass428.11
IUPAC Name3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(Cl)nc1Nc1cc(C(C2CC2)C2CC2)[nH]n1
InChIInChI=1S/C21H21ClN4O2S/c22-18-11-10-17(29(27,28)15-4-2-1-3-5-15)21(23-18)24-19-12-16(25-26-19)20(13-6-7-13)14-8-9-14/h1-5,10-14,20H,6-9H2,(H2,23,24,25,26)
InChIKeyLNWKMRKVPUMUDN-UHFFFAOYSA-N
XLogP4.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonyl)-6-chloro-N-(5-cyclobutyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 118628356
3-(benzenesulfonyl)-6-chloro-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628250
3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine
CID 118628306
4-(benzenesulfonyl)-6-chloro-N-[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628252
3-(benzenesulfonyl)-2-N-[2-(methylamino)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 118628221
4-(benzenesulfonyl)-N-(5-benzyl-1H-pyrazol-3-yl)-6-chloropyridin-2-amine
CID 118628283
4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol
CID 144988103
4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine
CID 169090365
2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine
CID 66582460
2-(2-chlorophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10271923
4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
CID 144988154
1,2-bis(benzenesulfonyl)benzene
CID 19980733

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine (CID 118628335) is 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine is O=S(=O)(c1ccccc1)c1ccc(Cl)nc1Nc1cc(C(C2CC2)C2CC2)[nH]n1.
What is the InChIKey of 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine?
The InChIKey is LNWKMRKVPUMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S/c22-18-11-10-17(29(27,28)15-4-2-1-3-5-15)21(23-18)24-19-12-16(25-26-19)20(13-6-7-13)14-8-9-14/h1-5,10-14,20H,6-9H2,(H2,23,24,25,26).
What are the key properties of 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine?
3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine has a molecular weight of 428.95 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 118628335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).