4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C20H22ClN3O2S — CID 22203594

IUPAC4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H22ClN3O2S/c1-20(2,3)16-8-10-17(11-9-16)27(25,26)23-19-12-13-24(22-19)14-15-6-4-5-7-18(15)21/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyWSMADPIMCDJCOI-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.68
Rot. Bonds5

About 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 22203594) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID22203594
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H22ClN3O2S/c1-20(2,3)16-8-10-17(11-9-16)27(25,26)23-19-12-13-24(22-19)14-15-6-4-5-7-18(15)21/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyWSMADPIMCDJCOI-UHFFFAOYSA-N
XLogP4.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
4-tert-butyl-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22205634
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22203608
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206833
4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 17022744
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206532

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 22203594) is 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is WSMADPIMCDJCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-20(2,3)16-8-10-17(11-9-16)27(25,26)23-19-12-13-24(22-19)14-15-6-4-5-7-18(15)21/h4-13H,14H2,1-3H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 403.94 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22203594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).