4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide

C22H21ClN4O2S — CID 73168315

IUPAC4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
SMILESCc1cc2ncc(CCCNS(=O)(=O)c3ccc(-c4cccc(Cl)c4)cc3)cn2n1
InChIInChI=1S/C22H21ClN4O2S/c1-16-12-22-24-14-17(15-27(22)26-16)4-3-11-25-30(28,29)21-9-7-18(8-10-21)19-5-2-6-20(23)13-19/h2,5-10,12-15,25H,3-4,11H2,1H3
InChIKeyGOWMEZZOHFXNDG-UHFFFAOYSA-N
MW440.96 g/mol
LogP4.27
Rot. Bonds7

About 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide

4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide (PubChem CID 73168315) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
PubChem CID73168315
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC Name4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
SMILESCc1cc2ncc(CCCNS(=O)(=O)c3ccc(-c4cccc(Cl)c4)cc3)cn2n1
InChIInChI=1S/C22H21ClN4O2S/c1-16-12-22-24-14-17(15-27(22)26-16)4-3-11-25-30(28,29)21-9-7-18(8-10-21)19-5-2-6-20(23)13-19/h2,5-10,12-15,25H,3-4,11H2,1H3
InChIKeyGOWMEZZOHFXNDG-UHFFFAOYSA-N
XLogP4.27
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620854
4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620838
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-phenylbenzenesulfonamide
CID 90620853
3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 73168309
4-methoxy-3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620786
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride
CID 84802935
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
CID 90620614
3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620660
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide (CID 73168315) is 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide is Cc1cc2ncc(CCCNS(=O)(=O)c3ccc(-c4cccc(Cl)c4)cc3)cn2n1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
The InChIKey is GOWMEZZOHFXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c1-16-12-22-24-14-17(15-27(22)26-16)4-3-11-25-30(28,29)21-9-7-18(8-10-21)19-5-2-6-20(23)13-19/h2,5-10,12-15,25H,3-4,11H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide?
4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide has a molecular weight of 440.96 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 73168315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).