1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

C18H23N3O3S — CID 20945374

IUPAC1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccccc2)c(C)n1C
InChIInChI=1S/C18H23N3O3S/c1-13-16(18(22)21-11-7-8-12-21)17(14(2)20(13)3)25(23,24)19-15-9-5-4-6-10-15/h4-6,9-10,19H,7-8,11-12H2,1-3H3
InChIKeyRPMCCUMTLYUMEI-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.68
Rot. Bonds4

About 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945374) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945374
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccccc2)c(C)n1C
InChIInChI=1S/C18H23N3O3S/c1-13-16(18(22)21-11-7-8-12-21)17(14(2)20(13)3)25(23,24)19-15-9-5-4-6-10-15/h4-6,9-10,19H,7-8,11-12H2,1-3H3
InChIKeyRPMCCUMTLYUMEI-UHFFFAOYSA-N
XLogP2.68
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2,5-dimethyl-4-(pyrrolidin-1-ylcarbonyl)-1H-pyrrole-3-sulfonamide
CID 20945088
N-(3-Bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945511
2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2318095
2-[2-(2,5-Dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7560363
2-[2-(1-Ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 8271924
2-[2-(2,5-Dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 8271970
N-{[4-(Dimethylamino)phenyl]methyl}-1,2,5-trimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 16026507
4-(azepane-1-carbonyl)-N-benzyl-N-tert-butyl-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 16026534
4-(Azepane-1-carbonyl)-N,1,2,5-tetramethyl-N-(3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 16026561
1-(2,5-Dimethylphenyl)-4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-YL]sulfonyl}piperazine
CID 16027803
2-[2-(2,5-Dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 16314235
1-(4-Chlorophenyl)-4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-YL]sulfonyl}piperazine
CID 20945050

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (CID 20945374) is 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2ccccc2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is RPMCCUMTLYUMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-16(18(22)21-11-7-8-12-21)17(14(2)20(13)3)25(23,24)19-15-9-5-4-6-10-15/h4-6,9-10,19H,7-8,11-12H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).