N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide

C17H21N3O3S — CID 71935195

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc[nH]1
InChIInChI=1S/C17H21N3O3S/c21-17(16-7-4-10-18-16)19-13-14-8-11-20(12-9-14)24(22,23)15-5-2-1-3-6-15/h1-7,10,14,18H,8-9,11-13H2,(H,19,21)
InChIKeyDHXHJWTYYONKTM-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.85
Rot. Bonds5

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 71935195) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID71935195
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc[nH]1
InChIInChI=1S/C17H21N3O3S/c21-17(16-7-4-10-18-16)19-13-14-8-11-20(12-9-14)24(22,23)15-5-2-1-3-6-15/h1-7,10,14,18H,8-9,11-13H2,(H,19,21)
InChIKeyDHXHJWTYYONKTM-UHFFFAOYSA-N
XLogP1.85
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
CID 119310285
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259
N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
CID 47086847
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[[benzyl(methyl)amino]methyl]benzamide
CID 60616235
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 139008193
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
CID 119123165
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119938215
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide (CID 71935195) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide is O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc[nH]1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DHXHJWTYYONKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-17(16-7-4-10-18-16)19-13-14-8-11-20(12-9-14)24(22,23)15-5-2-1-3-6-15/h1-7,10,14,18H,8-9,11-13H2,(H,19,21).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71935195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).