5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

C15H21ClN4O4S2 — CID 55730964

IUPAC5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C15H21ClN4O4S2/c1-5-20(6-2)26(23,24)13-9-7-12(8-10-13)18-25(21,22)14-11(3)17-19(4)15(14)16/h7-10,18H,5-6H2,1-4H3
InChIKeyYQRYXANXSAYMFG-UHFFFAOYSA-N
MW420.94 g/mol
LogP2.21
Rot. Bonds7

About 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 55730964) has the molecular formula C15H21ClN4O4S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID55730964
Molecular FormulaC15H21ClN4O4S2
Molecular Weight420.94 g/mol
Exact Mass420.07
IUPAC Name5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C15H21ClN4O4S2/c1-5-20(6-2)26(23,24)13-9-7-12(8-10-13)18-25(21,22)14-11(3)17-19(4)15(14)16/h7-10,18H,5-6H2,1-4H3
InChIKeyYQRYXANXSAYMFG-UHFFFAOYSA-N
XLogP2.21
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507128
5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 25038245
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3854841
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
1,3,5-trimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 8823656
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731289
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021
5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 94192668

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 55730964) is 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is YQRYXANXSAYMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O4S2/c1-5-20(6-2)26(23,24)13-9-7-12(8-10-13)18-25(21,22)14-11(3)17-19(4)15(14)16/h7-10,18H,5-6H2,1-4H3.
What are the key properties of 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 420.94 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 55730964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).