1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride

C13H21ClN2O4S — CID 114611174

IUPAC1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(C)C
InChIInChI=1S/C13H21ClN2O4S/c1-10(2)8-15(3)13(17)12-7-11(21(14,18)19)9-16(12)5-6-20-4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyZOGYZQSDZMTIPO-UHFFFAOYSA-N
MW336.84 g/mol
LogP1.79
Rot. Bonds7

About 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride

1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride (PubChem CID 114611174) has the molecular formula C13H21ClN2O4S and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
PubChem CID114611174
Molecular FormulaC13H21ClN2O4S
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(C)C
InChIInChI=1S/C13H21ClN2O4S/c1-10(2)8-15(3)13(17)12-7-11(21(14,18)19)9-16(12)5-6-20-4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyZOGYZQSDZMTIPO-UHFFFAOYSA-N
XLogP1.79
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611196
1-(2-methoxyethyl)-5-[(1-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611570
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
butyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611671
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837
cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611702
1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611356
3-methylbutyl 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylate
CID 114612712
1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611287
3-methylbutyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611749
N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612236
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride (CID 114611174) is 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride is COCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The InChIKey is ZOGYZQSDZMTIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O4S/c1-10(2)8-15(3)13(17)12-7-11(21(14,18)19)9-16(12)5-6-20-4/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride has a molecular weight of 336.84 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).