1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride

C14H19ClN2O3S — CID 114611360

IUPAC1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCC1CC1NC(=O)c1cc(S(=O)(=O)Cl)cn1C1CCCC1
InChIInChI=1S/C14H19ClN2O3S/c1-9-6-12(9)16-14(18)13-7-11(21(15,19)20)8-17(13)10-4-2-3-5-10/h7-10,12H,2-6H2,1H3,(H,16,18)
InChIKeyOTIMPPVKEGHNHW-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.67
Rot. Bonds4

About 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride

1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride (PubChem CID 114611360) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
PubChem CID114611360
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCC1CC1NC(=O)c1cc(S(=O)(=O)Cl)cn1C1CCCC1
InChIInChI=1S/C14H19ClN2O3S/c1-9-6-12(9)16-14(18)13-7-11(21(15,19)20)8-17(13)10-4-2-3-5-10/h7-10,12H,2-6H2,1H3,(H,16,18)
InChIKeyOTIMPPVKEGHNHW-UHFFFAOYSA-N
XLogP2.67
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 65367382
1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611033
1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611356
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114610892
1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612454
methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612610
oxetan-3-yl 4-chlorosulfonyl-1-cyclopentylpyrrole-2-carboxylate
CID 102608562
1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611340
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595
1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611154

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride (CID 114611360) is 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride is CC1CC1NC(=O)c1cc(S(=O)(=O)Cl)cn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The InChIKey is OTIMPPVKEGHNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-9-6-12(9)16-14(18)13-7-11(21(15,19)20)8-17(13)10-4-2-3-5-10/h7-10,12H,2-6H2,1H3,(H,16,18).
What are the key properties of 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride has a molecular weight of 330.84 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).