N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide

C17H22N4O3S — CID 70708455

IUPACN-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C17H22N4O3S/c1-3-21-12-13(10-18-21)11-20(2)25(23,24)16-8-4-14(5-9-16)17(22)19-15-6-7-15/h4-5,8-10,12,15H,3,6-7,11H2,1-2H3,(H,19,22)
InChIKeyDCFKFFQNHMCCKW-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.62
Rot. Bonds7

About N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide

N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide (PubChem CID 70708455) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
PubChem CID70708455
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C17H22N4O3S/c1-3-21-12-13(10-18-21)11-20(2)25(23,24)16-8-4-14(5-9-16)17(22)19-15-6-7-15/h4-5,8-10,12,15H,3,6-7,11H2,1-2H3,(H,19,22)
InChIKeyDCFKFFQNHMCCKW-UHFFFAOYSA-N
XLogP1.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
CID 118725464
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 7638262
N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 2095800
1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 155542117
1-[4-(3,5-Dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea
CID 13224088
1-Butyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea
CID 13224089
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 31853284
1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34644882
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
N-(1-pyrazol-1-ylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 45818444
N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 51103233

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide (CID 70708455) is N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide is CCn1cc(CN(C)S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)cn1.
What is the InChIKey of N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The InChIKey is DCFKFFQNHMCCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-21-12-13(10-18-21)11-20(2)25(23,24)16-8-4-14(5-9-16)17(22)19-15-6-7-15/h4-5,8-10,12,15H,3,6-7,11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide has a molecular weight of 362.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide is sourced from PubChem (CID 70708455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).