N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H16N4O3S — CID 71704440

IUPACN-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C14H16N4O3S/c15-22(20,21)10-6-4-9(5-7-10)8-16-14(19)13-11-2-1-3-12(11)17-18-13/h4-7H,1-3,8H2,(H,16,19)(H,17,18)(H2,15,20,21)
InChIKeyRKTPBKQLBNKNHU-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.48
Rot. Bonds4

About N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 71704440) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID71704440
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C14H16N4O3S/c15-22(20,21)10-6-4-9(5-7-10)8-16-14(19)13-11-2-1-3-12(11)17-18-13/h4-7H,1-3,8H2,(H,16,19)(H,17,18)(H2,15,20,21)
InChIKeyRKTPBKQLBNKNHU-UHFFFAOYSA-N
XLogP0.48
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 71704440) is N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RKTPBKQLBNKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c15-22(20,21)10-6-4-9(5-7-10)8-16-14(19)13-11-2-1-3-12(11)17-18-13/h4-7H,1-3,8H2,(H,16,19)(H,17,18)(H2,15,20,21).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 71704440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).