N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide

C15H20N4O3S — CID 86980323

IUPACN,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C15H20N4O3S/c1-4-19(5-2)15(20)12-7-6-8-13(9-12)17-23(21,22)14-10-16-18(3)11-14/h6-11,17H,4-5H2,1-3H3
InChIKeyRFUISEWZUMTSBT-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.70
Rot. Bonds6

About N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide

N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 86980323) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
PubChem CID86980323
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C15H20N4O3S/c1-4-19(5-2)15(20)12-7-6-8-13(9-12)17-23(21,22)14-10-16-18(3)11-14/h6-11,17H,4-5H2,1-3H3
InChIKeyRFUISEWZUMTSBT-UHFFFAOYSA-N
XLogP1.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 30713736
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide (CID 86980323) is N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide is CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1.
What is the InChIKey of N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is RFUISEWZUMTSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-19(5-2)15(20)12-7-6-8-13(9-12)17-23(21,22)14-10-16-18(3)11-14/h6-11,17H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide?
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide has a molecular weight of 336.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 86980323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).