N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

C14H23N3O3S — CID 65388033

IUPACN-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCCC1CCC(NC(=O)c2cc(S(N)(=O)=O)c[nH]2)CC1
InChIInChI=1S/C14H23N3O3S/c1-2-3-10-4-6-11(7-5-10)17-14(18)13-8-12(9-16-13)21(15,19)20/h8-11,16H,2-7H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyLQZWBCIVWIKKCG-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.75
Rot. Bonds5

About N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65388033) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65388033
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCCC1CCC(NC(=O)c2cc(S(N)(=O)=O)c[nH]2)CC1
InChIInChI=1S/C14H23N3O3S/c1-2-3-10-4-6-11(7-5-10)17-14(18)13-8-12(9-16-13)21(15,19)20/h8-11,16H,2-7H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyLQZWBCIVWIKKCG-UHFFFAOYSA-N
XLogP1.75
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65388033) is N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is CCCC1CCC(NC(=O)c2cc(S(N)(=O)=O)c[nH]2)CC1.
What is the InChIKey of N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is LQZWBCIVWIKKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-3-10-4-6-11(7-5-10)17-14(18)13-8-12(9-16-13)21(15,19)20/h8-11,16H,2-7H2,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65388033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).