5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide

C11H14N4O3S — CID 106001980

IUPAC5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccncn2)cc1CO
InChIInChI=1S/C11H14N4O3S/c1-15-6-11(4-10(15)7-16)19(17,18)14-5-9-2-3-12-8-13-9/h2-4,6,8,14,16H,5,7H2,1H3
InChIKeyKSAZHGVMYZMKMX-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.21
Rot. Bonds5

About 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide

5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide (PubChem CID 106001980) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
PubChem CID106001980
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccncn2)cc1CO
InChIInChI=1S/C11H14N4O3S/c1-15-6-11(4-10(15)7-16)19(17,18)14-5-9-2-3-12-8-13-9/h2-4,6,8,14,16H,5,7H2,1H3
InChIKeyKSAZHGVMYZMKMX-UHFFFAOYSA-N
XLogP-0.21
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-1-propyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
CID 106092589
1-[3-(methylamino)propyl]-N-(pyrimidin-4-ylmethyl)pyrazole-4-sulfonamide
CID 106092563
5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide
CID 114112495
4-chloro-3-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092537
5-bromo-3-methyl-N-(pyrimidin-4-ylmethyl)triazole-4-sulfonamide
CID 114112066
5-[(propan-2-ylamino)methyl]-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092523
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
CID 83147385
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
CID 114111350
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107460565
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106062551

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide (CID 106001980) is 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccncn2)cc1CO.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide?
The InChIKey is KSAZHGVMYZMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-15-6-11(4-10(15)7-16)19(17,18)14-5-9-2-3-12-8-13-9/h2-4,6,8,14,16H,5,7H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide?
5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106001980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).