1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

C20H27N3O3S — CID 53068635

IUPAC1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc(C(=O)N2CCCC2)n1C
InChIInChI=1S/C20H27N3O3S/c1-14(2)16-7-9-17(10-8-16)21-27(25,26)19-13-18(22(4)15(19)3)20(24)23-11-5-6-12-23/h7-10,13-14,21H,5-6,11-12H2,1-4H3
InChIKeyDGASUUSOPDUQTK-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.49
Rot. Bonds5

About 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 53068635) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID53068635
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc(C(=O)N2CCCC2)n1C
InChIInChI=1S/C20H27N3O3S/c1-14(2)16-7-9-17(10-8-16)21-27(25,26)19-13-18(22(4)15(19)3)20(24)23-11-5-6-12-23/h7-10,13-14,21H,5-6,11-12H2,1-4H3
InChIKeyDGASUUSOPDUQTK-UHFFFAOYSA-N
XLogP3.49
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068713
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
ethyl 3-[[1,2-dimethyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 53006312
N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068661
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069006
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114946
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114725
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-fluorophenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53114907
5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
CID 53067986
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (CID 53068635) is 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc(C(=O)N2CCCC2)n1C.
What is the InChIKey of 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is DGASUUSOPDUQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14(2)16-7-9-17(10-8-16)21-27(25,26)19-13-18(22(4)15(19)3)20(24)23-11-5-6-12-23/h7-10,13-14,21H,5-6,11-12H2,1-4H3.
What are the key properties of 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53068635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).