N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide

C20H21N5O4S — CID 34029254

IUPACN,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
SMILESCc1ccnn1-c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H21N5O4S/c1-14-11-12-21-25(14)17-9-7-15(8-10-17)19(26)22-23-20(27)16-5-4-6-18(13-16)30(28,29)24(2)3/h4-13H,1-3H3,(H,22,26)(H,23,27)
InChIKeyGLUSYCZGBRJOJY-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.51
Rot. Bonds5

About N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide

N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 34029254) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
PubChem CID34029254
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
SMILESCc1ccnn1-c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H21N5O4S/c1-14-11-12-21-25(14)17-9-7-15(8-10-17)19(26)22-23-20(27)16-5-4-6-18(13-16)30(28,29)24(2)3/h4-13H,1-3H3,(H,22,26)(H,23,27)
InChIKeyGLUSYCZGBRJOJY-UHFFFAOYSA-N
XLogP1.51
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473259
3-[[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 46489475
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
3-[[(4-cyclohexylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 30873167
3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43016473
N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 32726076
N,N-dimethyl-3-[[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 9427950
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 31367915
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 24525231
N-[2-(dimethylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9481086

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide (CID 34029254) is N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide is Cc1ccnn1-c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is GLUSYCZGBRJOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-14-11-12-21-25(14)17-9-7-15(8-10-17)19(26)22-23-20(27)16-5-4-6-18(13-16)30(28,29)24(2)3/h4-13H,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide?
N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 427.49 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 34029254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).