2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide

C14H17ClN2O2S — CID 69091107

IUPAC2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1c(C)ccc(-n2cccc2)c1Cl
InChIInChI=1S/C14H17ClN2O2S/c1-3-8-16-20(18,19)14-11(2)6-7-12(13(14)15)17-9-4-5-10-17/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyXTXYZAQHDLQZTM-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.13
Rot. Bonds5

About 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide

2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide (PubChem CID 69091107) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide
PubChem CID69091107
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1c(C)ccc(-n2cccc2)c1Cl
InChIInChI=1S/C14H17ClN2O2S/c1-3-8-16-20(18,19)14-11(2)6-7-12(13(14)15)17-9-4-5-10-17/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyXTXYZAQHDLQZTM-UHFFFAOYSA-N
XLogP3.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide (CID 69091107) is 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide is CCCNS(=O)(=O)c1c(C)ccc(-n2cccc2)c1Cl.
What is the InChIKey of 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide?
The InChIKey is XTXYZAQHDLQZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-3-8-16-20(18,19)14-11(2)6-7-12(13(14)15)17-9-4-5-10-17/h4-7,9-10,16H,3,8H2,1-2H3.
What are the key properties of 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide?
2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide has a molecular weight of 312.82 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-propyl-3-pyrrol-1-ylbenzenesulfonamide is sourced from PubChem (CID 69091107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).