5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride

C14H23ClN2O3S — CID 114611211

IUPAC5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
SMILESCC(C)CC(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1C(C)C
InChIInChI=1S/C14H23ClN2O3S/c1-9(2)6-11(5)16-14(18)13-7-12(21(15,19)20)8-17(13)10(3)4/h7-11H,6H2,1-5H3,(H,16,18)
InChIKeyPMPQLYWDMQHCAH-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.16
Rot. Bonds6

About 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride

5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride (PubChem CID 114611211) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
PubChem CID114611211
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
SMILESCC(C)CC(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1C(C)C
InChIInChI=1S/C14H23ClN2O3S/c1-9(2)6-11(5)16-14(18)13-7-12(21(15,19)20)8-17(13)10(3)4/h7-11H,6H2,1-5H3,(H,16,18)
InChIKeyPMPQLYWDMQHCAH-UHFFFAOYSA-N
XLogP3.16
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride (CID 114611211) is 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride is CC(C)CC(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1C(C)C.
What is the InChIKey of 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
The InChIKey is PMPQLYWDMQHCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-9(2)6-11(5)16-14(18)13-7-12(21(15,19)20)8-17(13)10(3)4/h7-11H,6H2,1-5H3,(H,16,18).
What are the key properties of 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride?
5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride has a molecular weight of 334.87 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).