5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride

C10H13ClN2O4S — CID 82735899

IUPAC5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
SMILESCC1OCCC1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C10H13ClN2O4S/c1-6-8(2-3-17-6)13-10(14)9-4-7(5-12-9)18(11,15)16/h4-6,8,12H,2-3H2,1H3,(H,13,14)
InChIKeyDSINRUFNOQFXBJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.85
Rot. Bonds3

About 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride

5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride (PubChem CID 82735899) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
PubChem CID82735899
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
SMILESCC1OCCC1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C10H13ClN2O4S/c1-6-8(2-3-17-6)13-10(14)9-4-7(5-12-9)18(11,15)16/h4-6,8,12H,2-3H2,1H3,(H,13,14)
InChIKeyDSINRUFNOQFXBJ-UHFFFAOYSA-N
XLogP0.85
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82729228
3-methyl-5-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82737601
N-(2-methylcyclopropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386729
5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 107420999
5-bromo-2-chloro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731630
5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 82736008
2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731514
7-chloro-N-(2-methyloxolan-3-yl)-1H-indole-2-carboxamide
CID 166475954
7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide
CID 166475971
5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367080
4-chloro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82725262
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride (CID 82735899) is 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride is CC1OCCC1NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1.
What is the InChIKey of 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is DSINRUFNOQFXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-6-8(2-3-17-6)13-10(14)9-4-7(5-12-9)18(11,15)16/h4-6,8,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride?
5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 292.74 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 82735899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).