N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C19H24FN3O3S — CID 20945238

IUPACN-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1F
InChIInChI=1S/C19H24FN3O3S/c1-12-7-8-15(11-16(12)20)22-27(25,26)18-14(3)21-13(2)17(18)19(24)23-9-5-4-6-10-23/h7-8,11,21-22H,4-6,9-10H2,1-3H3
InChIKeyDDTVMGXPRLTIAJ-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.51
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 20945238) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID20945238
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1F
InChIInChI=1S/C19H24FN3O3S/c1-12-7-8-15(11-16(12)20)22-27(25,26)18-14(3)21-13(2)17(18)19(24)23-9-5-4-6-10-23/h7-8,11,21-22H,4-6,9-10H2,1-3H3
InChIKeyDDTVMGXPRLTIAJ-UHFFFAOYSA-N
XLogP3.51
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945171
N-(4-methoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945163
N-(2-fluorophenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945185
N-(3,5-dimethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945176
N-(4-cyanophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 46339455
N-(4-ethoxyphenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945074
N-(2,3-dimethylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945178
2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide
CID 20945037
2,5-dimethyl-N-[(2-methylphenyl)methyl]-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945265
N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945241
3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 46321450
N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
CID 46321445

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 20945238) is N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is DDTVMGXPRLTIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-12-7-8-15(11-16(12)20)22-27(25,26)18-14(3)21-13(2)17(18)19(24)23-9-5-4-6-10-23/h7-8,11,21-22H,4-6,9-10H2,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 393.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 20945238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).