5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride

C10H15ClN2O4S — CID 65367433

IUPAC5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
SMILESCOCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C10H15ClN2O4S/c1-7(3-4-17-2)13-10(14)9-5-8(6-12-9)18(11,15)16/h5-7,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyFRFRHMCMEUWGJG-UHFFFAOYSA-N
MW294.76 g/mol
LogP1.10
Rot. Bonds6

About 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride

5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride (PubChem CID 65367433) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
PubChem CID65367433
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC Name5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
SMILESCOCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C10H15ClN2O4S/c1-7(3-4-17-2)13-10(14)9-5-8(6-12-9)18(11,15)16/h5-7,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyFRFRHMCMEUWGJG-UHFFFAOYSA-N
XLogP1.10
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methylhexan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367479
3-fluoro-4-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 64603638
5-(4-methoxybutan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611438
(2S)-2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]propanoic acid
CID 119942974
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 115283401
5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367080
5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367021
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367465

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride (CID 65367433) is 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride is COCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)c[nH]1.
What is the InChIKey of 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is FRFRHMCMEUWGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S/c1-7(3-4-17-2)13-10(14)9-5-8(6-12-9)18(11,15)16/h5-7,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 294.76 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65367433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).