N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide

C17H23N5O3S — CID 72866477

IUPACN-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide
SMILESCn1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CCNCC3)c2)cn1
InChIInChI=1S/C17H23N5O3S/c1-22-12-13(11-20-22)10-19-17(23)14-3-2-4-16(9-14)26(24,25)21-15-5-7-18-8-6-15/h2-4,9,11-12,15,18,21H,5-8,10H2,1H3,(H,19,23)
InChIKeyQMMIRPKWYYBXNW-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.38
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide

N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide (PubChem CID 72866477) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide
PubChem CID72866477
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide
SMILESCn1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CCNCC3)c2)cn1
InChIInChI=1S/C17H23N5O3S/c1-22-12-13(11-20-22)10-19-17(23)14-3-2-4-16(9-14)26(24,25)21-15-5-7-18-8-6-15/h2-4,9,11-12,15,18,21H,5-8,10H2,1H3,(H,19,23)
InChIKeyQMMIRPKWYYBXNW-UHFFFAOYSA-N
XLogP0.38
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide
CID 72933072
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
N-(3-pyrazol-1-ylpropyl)-3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 99927465
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide
CID 97201214
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide (CID 72866477) is N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide is Cn1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CCNCC3)c2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide?
The InChIKey is QMMIRPKWYYBXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-22-12-13(11-20-22)10-19-17(23)14-3-2-4-16(9-14)26(24,25)21-15-5-7-18-8-6-15/h2-4,9,11-12,15,18,21H,5-8,10H2,1H3,(H,19,23).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide?
N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide has a molecular weight of 377.47 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 72866477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).