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

C23H27ClN4O3S — CID 134013903

IUPAC4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)ccc1Cl
InChIInChI=1S/C23H27ClN4O3S/c1-5-27(6-2)32(30,31)22-14-18(12-13-21(22)24)23(29)25-15-20-16(3)26-28(17(20)4)19-10-8-7-9-11-19/h7-14H,5-6,15H2,1-4H3,(H,25,29)
InChIKeyDHFYKJYZEGUPBY-UHFFFAOYSA-N
MW475.01 g/mol
LogP4.10
Rot. Bonds8

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

4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 134013903) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID134013903
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)ccc1Cl
InChIInChI=1S/C23H27ClN4O3S/c1-5-27(6-2)32(30,31)22-14-18(12-13-21(22)24)23(29)25-15-20-16(3)26-28(17(20)4)19-10-8-7-9-11-19/h7-14H,5-6,15H2,1-4H3,(H,25,29)
InChIKeyDHFYKJYZEGUPBY-UHFFFAOYSA-N
XLogP4.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 4825742
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(ethylsulfamoyl)benzamide
CID 134034024
5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 134013910
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 39698452
4-chloro-3-(diethylsulfamoyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917124
4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134034027
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 39969897
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19282557
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 60538447

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide (CID 134013903) is 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DHFYKJYZEGUPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-5-27(6-2)32(30,31)22-14-18(12-13-21(22)24)23(29)25-15-20-16(3)26-28(17(20)4)19-10-8-7-9-11-19/h7-14H,5-6,15H2,1-4H3,(H,25,29).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide?
4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 475.01 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 134013903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).