N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C18H22FN3O3S — CID 53068868

IUPACN-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)Nc2cccc(F)c2)n1C
InChIInChI=1S/C18H22FN3O3S/c1-13-17(26(24,25)22-9-4-3-5-10-22)12-16(21(13)2)18(23)20-15-8-6-7-14(19)11-15/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23)
InChIKeyQFLLQNUCQVHHQH-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.90
Rot. Bonds4

About N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 53068868) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID53068868
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)Nc2cccc(F)c2)n1C
InChIInChI=1S/C18H22FN3O3S/c1-13-17(26(24,25)22-9-4-3-5-10-22)12-16(21(13)2)18(23)20-15-8-6-7-14(19)11-15/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23)
InChIKeyQFLLQNUCQVHHQH-UHFFFAOYSA-N
XLogP2.90
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068913
ethyl 3-[(1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate
CID 53068865
N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068846
methyl 4-[(1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate
CID 53068920
4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1101775
N-(2,5-dimethylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068882
4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1341863
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-cycloheptyl-1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068779
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 53068868) is N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is Cc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)Nc2cccc(F)c2)n1C.
What is the InChIKey of N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is QFLLQNUCQVHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-13-17(26(24,25)22-9-4-3-5-10-22)12-16(21(13)2)18(23)20-15-8-6-7-14(19)11-15/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 53068868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).