1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride

C14H21ClN2O3S — CID 114611191

IUPAC1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCCCCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-4-5-8-16(2)14(18)13-9-12(21(15,19)20)10-17(13)11-6-7-11/h9-11H,3-8H2,1-2H3
InChIKeyVUDIMXSBKOYCMK-UHFFFAOYSA-N
MW332.85 g/mol
LogP3.01
Rot. Bonds7

About 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride

1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride (PubChem CID 114611191) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride
PubChem CID114611191
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCCCCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-4-5-8-16(2)14(18)13-9-12(21(15,19)20)10-17(13)11-6-7-11/h9-11H,3-8H2,1-2H3
InChIKeyVUDIMXSBKOYCMK-UHFFFAOYSA-N
XLogP3.01
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611154
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
1-cyclobutyl-5-[2,2-difluoroethyl(methyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611604
1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611340
N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318911
4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43641522
1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611033
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
1-cyclopropyl-N-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612118
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595
4-chloro-3-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65370538
1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644503

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride (CID 114611191) is 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride is CCCCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The InChIKey is VUDIMXSBKOYCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-4-5-8-16(2)14(18)13-9-12(21(15,19)20)10-17(13)11-6-7-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride?
1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).