N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide

C16H21N5O3S — CID 70760127

IUPACN-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCNC3)cc2)cn1
InChIInChI=1S/C16H21N5O3S/c1-21-11-12(9-19-21)8-18-16(22)13-2-4-15(5-3-13)25(23,24)20-14-6-7-17-10-14/h2-5,9,11,14,17,20H,6-8,10H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyIFCCVIWMZSUIOH-CQSZACIVSA-N
MW363.44 g/mol
LogP-0.01
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide

N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide (PubChem CID 70760127) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
PubChem CID70760127
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCNC3)cc2)cn1
InChIInChI=1S/C16H21N5O3S/c1-21-11-12(9-19-21)8-18-16(22)13-2-4-15(5-3-13)25(23,24)20-14-6-7-17-10-14/h2-5,9,11,14,17,20H,6-8,10H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyIFCCVIWMZSUIOH-CQSZACIVSA-N
XLogP-0.01
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
4-(dimethylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 894979
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 7638262
N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836105
US10343992, Example 44
CID 122590787
2-methyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]pyrazole-3-carboxamide
CID 92558146
1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 155542117
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
N-(1-pyrazol-1-ylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 45818444
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 47026934

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide (CID 70760127) is N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide is Cn1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCNC3)cc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The InChIKey is IFCCVIWMZSUIOH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-21-11-12(9-19-21)8-18-16(22)13-2-4-15(5-3-13)25(23,24)20-14-6-7-17-10-14/h2-5,9,11,14,17,20H,6-8,10H2,1H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of -0.01, 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]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 70760127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).