N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide

C19H20ClN3O2S — CID 22207169

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-2-6-15-9-11-17(12-10-15)26(24,25)22-19-18(20)14-23(21-19)13-16-7-4-3-5-8-16/h3-5,7-12,14H,2,6,13H2,1H3,(H,21,22)
InChIKeyAMWRHSIFDIBRFI-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.34
Rot. Bonds7

About N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide

N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide (PubChem CID 22207169) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide
PubChem CID22207169
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-2-6-15-9-11-17(12-10-15)26(24,25)22-19-18(20)14-23(21-19)13-16-7-4-3-5-8-16/h3-5,7-12,14H,2,6,13H2,1H3,(H,21,22)
InChIKeyAMWRHSIFDIBRFI-UHFFFAOYSA-N
XLogP4.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
CID 22207196
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22201819
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22207203
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201811
N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 22207182
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-butylbenzenesulfonamide
CID 22206113
4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842192
N-(2-amino-6-chlorophenyl)-4-propylbenzenesulfonamide
CID 62083735
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115688297
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-butan-2-ylbenzenesulfonamide
CID 22201824

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide (CID 22207169) is N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3)cc2Cl)cc1.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide?
The InChIKey is AMWRHSIFDIBRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-2-6-15-9-11-17(12-10-15)26(24,25)22-19-18(20)14-23(21-19)13-16-7-4-3-5-8-16/h3-5,7-12,14H,2,6,13H2,1H3,(H,21,22).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 22207169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).