4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide

C17H24N2O4S — CID 94091179

IUPAC4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-13-4-6-15(7-5-13)24(21,22)18-14-8-10-19(11-9-14)17(20)16-3-2-12-23-16/h4-7,14,16,18H,2-3,8-12H2,1H3/t16-/m1/s1
InChIKeyWZHCRZXMUNZIEQ-MRXNPFEDSA-N
MW352.46 g/mol
LogP1.44
Rot. Bonds4

About 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide

4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 94091179) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
PubChem CID94091179
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-13-4-6-15(7-5-13)24(21,22)18-14-8-10-19(11-9-14)17(20)16-3-2-12-23-16/h4-7,14,16,18H,2-3,8-12H2,1H3/t16-/m1/s1
InChIKeyWZHCRZXMUNZIEQ-MRXNPFEDSA-N
XLogP1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 55330043
N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70747596
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119732712
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412
tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide (CID 94091179) is 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]3CCCO3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is WZHCRZXMUNZIEQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-4-6-15(7-5-13)24(21,22)18-14-8-10-19(11-9-14)17(20)16-3-2-12-23-16/h4-7,14,16,18H,2-3,8-12H2,1H3/t16-/m1/s1.
What are the key properties of 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide?
4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 94091179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).