4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

C19H20ClN3O2S — CID 18192071

IUPAC4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-14-19(15(2)23(21-14)17-7-5-4-6-8-17)13-22(3)26(24,25)18-11-9-16(20)10-12-18/h4-12H,13H2,1-3H3
InChIKeyLLYXHPSNSZZZSD-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.96
Rot. Bonds5

About 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 18192071) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID18192071
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-14-19(15(2)23(21-14)17-7-5-4-6-8-17)13-22(3)26(24,25)18-11-9-16(20)10-12-18/h4-12H,13H2,1-3H3
InChIKeyLLYXHPSNSZZZSD-UHFFFAOYSA-N
XLogP3.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 17398702
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 9117745
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112788270
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55560237
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethylpiperidine-1-sulfonamide
CID 134002490
(2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
CID 98445650
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide
CID 9340388
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 4825742
4-chloro-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 42876073
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
6-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 9191231

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 18192071) is 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is LLYXHPSNSZZZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-14-19(15(2)23(21-14)17-7-5-4-6-8-17)13-22(3)26(24,25)18-11-9-16(20)10-12-18/h4-12H,13H2,1-3H3.
What are the key properties of 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 18192071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).