N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide

C14H13N3O4S — CID 53379660

IUPACN-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc2[nH]c3c(CO)nccc3c2c1
InChIInChI=1S/C14H13N3O4S/c1-8(19)17-22(20,21)9-2-3-12-11(6-9)10-4-5-15-13(7-18)14(10)16-12/h2-6,16,18H,7H2,1H3,(H,17,19)
InChIKeySNRLGKJIHWZJMA-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.03
Rot. Bonds3

About N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide

N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide (PubChem CID 53379660) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide
PubChem CID53379660
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc2[nH]c3c(CO)nccc3c2c1
InChIInChI=1S/C14H13N3O4S/c1-8(19)17-22(20,21)9-2-3-12-11(6-9)10-4-5-15-13(7-18)14(10)16-12/h2-6,16,18H,7H2,1H3,(H,17,19)
InChIKeySNRLGKJIHWZJMA-UHFFFAOYSA-N
XLogP1.03
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide (CID 53379660) is N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide is CC(=O)NS(=O)(=O)c1ccc2[nH]c3c(CO)nccc3c2c1.
What is the InChIKey of N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide?
The InChIKey is SNRLGKJIHWZJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-8(19)17-22(20,21)9-2-3-12-11(6-9)10-4-5-15-13(7-18)14(10)16-12/h2-6,16,18H,7H2,1H3,(H,17,19).
What are the key properties of N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide?
N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide is sourced from PubChem (CID 53379660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).