1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide

C18H23N3O4S — CID 20945609

IUPAC1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccccc2)c(C)n1C
InChIInChI=1S/C18H23N3O4S/c1-13-16(18(22)21-9-11-25-12-10-21)17(14(2)20(13)3)26(23,24)19-15-7-5-4-6-8-15/h4-8,19H,9-12H2,1-3H3
InChIKeyVOBVCMOVIJABAA-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.92
Rot. Bonds4

About 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide

1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide (PubChem CID 20945609) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide
PubChem CID20945609
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccccc2)c(C)n1C
InChIInChI=1S/C18H23N3O4S/c1-13-16(18(22)21-9-11-25-12-10-21)17(14(2)20(13)3)26(23,24)19-15-7-5-4-6-8-15/h4-8,19H,9-12H2,1-3H3
InChIKeyVOBVCMOVIJABAA-UHFFFAOYSA-N
XLogP1.92
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-{2,5-dimethyl-1-[3-(morpholine-4-sulfonyl)phenyl]-1H-pyrrol-3-yl}ethan-1-one
CID 2366620
4-acetyl-3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
CID 4374325
1,2,5-Trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945374
N-(3-Bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945511
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
N-Benzyl-2,5-dimethyl-N-(propan-2-YL)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945101
N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945137
N-benzyl-N-ethyl-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945252
2,5-dimethyl-N-[(2-methylphenyl)methyl]-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945265

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide?
The IUPAC name of 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide (CID 20945609) is 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide.
What is the SMILES notation for 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide?
The canonical SMILES for 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide is Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccccc2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide?
The InChIKey is VOBVCMOVIJABAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-16(18(22)21-9-11-25-12-10-21)17(14(2)20(13)3)26(23,24)19-15-7-5-4-6-8-15/h4-8,19H,9-12H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide?
1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-phenylpyrrole-3-sulfonamide is sourced from PubChem (CID 20945609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).