N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide

C19H20ClN3O2S — CID 22203620

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)c(C)c1
InChIInChI=1S/C19H20ClN3O2S/c1-13-10-14(2)19(15(3)11-13)26(24,25)22-18-8-9-23(21-18)12-16-6-4-5-7-17(16)20/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyIVNMQRDYFHGYSV-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.31
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 22203620) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID22203620
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)c(C)c1
InChIInChI=1S/C19H20ClN3O2S/c1-13-10-14(2)19(15(3)11-13)26(24,25)22-18-8-9-23(21-18)12-16-6-4-5-7-17(16)20/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyIVNMQRDYFHGYSV-UHFFFAOYSA-N
XLogP4.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.31
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
4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203594
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22205796
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22206528
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22203608
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206532

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide (CID 22203620) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccn(Cc3ccccc3Cl)n2)c(C)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is IVNMQRDYFHGYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-13-10-14(2)19(15(3)11-13)26(24,25)22-18-8-9-23(21-18)12-16-6-4-5-7-17(16)20/h4-11H,12H2,1-3H3,(H,21,22).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 22203620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).