N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide

C15H20N2O3S — CID 107265358

IUPACN-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2c[nH]c(CO)c2)cc1
InChIInChI=1S/C15H20N2O3S/c1-15(2,3)11-4-6-12(7-5-11)17-21(19,20)14-8-13(10-18)16-9-14/h4-9,16-18H,10H2,1-3H3
InChIKeyFCZRPPAWQKFUMS-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.61
Rot. Bonds4

About N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide

N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 107265358) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
PubChem CID107265358
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2c[nH]c(CO)c2)cc1
InChIInChI=1S/C15H20N2O3S/c1-15(2,3)11-4-6-12(7-5-11)17-21(19,20)14-8-13(10-18)16-9-14/h4-9,16-18H,10H2,1-3H3
InChIKeyFCZRPPAWQKFUMS-UHFFFAOYSA-N
XLogP2.61
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide (CID 107265358) is N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide is CC(C)(C)c1ccc(NS(=O)(=O)c2c[nH]c(CO)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is FCZRPPAWQKFUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(2,3)11-4-6-12(7-5-11)17-21(19,20)14-8-13(10-18)16-9-14/h4-9,16-18H,10H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide?
N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 107265358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).