1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride

C14H21ClN2O3S — CID 114611340

IUPAC1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-4-5-10(2)16-14(18)13-8-12(21(15,19)20)9-17(13)11-6-7-11/h8-11H,3-7H2,1-2H3,(H,16,18)
InChIKeyJQTNMUJNYHRCQK-UHFFFAOYSA-N
MW332.85 g/mol
LogP3.06
Rot. Bonds7

About 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride

1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 114611340) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID114611340
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-4-5-10(2)16-14(18)13-8-12(21(15,19)20)9-17(13)11-6-7-11/h8-11H,3-7H2,1-2H3,(H,16,18)
InChIKeyJQTNMUJNYHRCQK-UHFFFAOYSA-N
XLogP3.06
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
1-methyl-5-(octan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366930
1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611033
1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611191
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 83176737
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
5-(4-methoxybutan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611438
1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611971

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 114611340) is 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride is CCCCC(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is JQTNMUJNYHRCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-4-5-10(2)16-14(18)13-8-12(21(15,19)20)9-17(13)11-6-7-11/h8-11H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).