5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride

C14H21ClN2O3S — CID 79005334

IUPAC5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
SMILESCC(C)CCN(C(=O)c1cc(S(=O)(=O)Cl)cn1C)C1CC1
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)6-7-17(11-4-5-11)14(18)13-8-12(9-16(13)3)21(15,19)20/h8-11H,4-7H2,1-3H3
InChIKeyFKWWMEUQOCHOAQ-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.60
Rot. Bonds6

About 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride

5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride (PubChem CID 79005334) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
PubChem CID79005334
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
SMILESCC(C)CCN(C(=O)c1cc(S(=O)(=O)Cl)cn1C)C1CC1
InChIInChI=1S/C14H21ClN2O3S/c1-10(2)6-7-17(11-4-5-11)14(18)13-8-12(9-16(13)3)21(15,19)20/h8-11H,4-7H2,1-3H3
InChIKeyFKWWMEUQOCHOAQ-UHFFFAOYSA-N
XLogP2.60
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367293
5-[cyclopropyl(3-methylbutyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 79005335
3-methylbutyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65396394
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65387791
5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 81074609
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028777
1-methyl-5-(oxan-4-ylmethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367238
1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611174

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride (CID 79005334) is 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride is CC(C)CCN(C(=O)c1cc(S(=O)(=O)Cl)cn1C)C1CC1.
What is the InChIKey of 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The InChIKey is FKWWMEUQOCHOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(2)6-7-17(11-4-5-11)14(18)13-8-12(9-16(13)3)21(15,19)20/h8-11H,4-7H2,1-3H3.
What are the key properties of 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 79005334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).