N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide

C19H24BrN3O3S — CID 20945511

IUPACN-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)n1C
InChIInChI=1S/C19H24BrN3O3S/c1-13-17(19(24)23-10-5-4-6-11-23)18(14(2)22(13)3)27(25,26)21-16-9-7-8-15(20)12-16/h7-9,12,21H,4-6,10-11H2,1-3H3
InChIKeyGDQZMYRDSHQJIW-UHFFFAOYSA-N
MW454.39 g/mol
LogP3.83
Rot. Bonds4

About N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide

N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945511) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945511
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC NameN-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)n1C
InChIInChI=1S/C19H24BrN3O3S/c1-13-17(19(24)23-10-5-4-6-11-23)18(14(2)22(13)3)27(25,26)21-16-9-7-8-15(20)12-16/h7-9,12,21H,4-6,10-11H2,1-3H3
InChIKeyGDQZMYRDSHQJIW-UHFFFAOYSA-N
XLogP3.83
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,5-Trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945374
5-bromo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2471954
N-{[4-(Dimethylamino)phenyl]methyl}-1,2,5-trimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 16026507
4-(Azepane-1-carbonyl)-N,1,2,5-tetramethyl-N-(3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 16026561
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
2-Methyl-1-{[1,2,5-trimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-YL]sulfonyl}-2,3-dihydro-1H-indole
CID 20945495
1,2,5-Trimethyl-4-(morpholine-4-carbonyl)-N-phenyl-1H-pyrrole-3-sulfonamide
CID 20945609
4-(Azepane-1-carbonyl)-N-(2-ethylphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 20945641
4-(Azepane-1-carbonyl)-N-(2,4-dimethylphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 20945665
4-(Azepane-1-carbonyl)-N-(3,5-dimethylphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 20945676

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide (CID 20945511) is N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)n1C.
What is the InChIKey of N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is GDQZMYRDSHQJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c1-13-17(19(24)23-10-5-4-6-11-23)18(14(2)22(13)3)27(25,26)21-16-9-7-8-15(20)12-16/h7-9,12,21H,4-6,10-11H2,1-3H3.
What are the key properties of N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 454.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).