N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

C16H22N2O3S — CID 18106374

IUPACN-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-12-4-2-3-11-18(12)16(19)13-5-9-15(10-6-13)22(20,21)17-14-7-8-14/h5-6,9-10,12,14,17H,2-4,7-8,11H2,1H3
InChIKeyXVXLJEPODZHSTG-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.14
Rot. Bonds4

About N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 18106374) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID18106374
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-12-4-2-3-11-18(12)16(19)13-5-9-15(10-6-13)22(20,21)17-14-7-8-14/h5-6,9-10,12,14,17H,2-4,7-8,11H2,1H3
InChIKeyXVXLJEPODZHSTG-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
CID 70710461
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061212
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
N-cyclopropyl-4-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 95592243
4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 94133368
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 18106374) is N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XVXLJEPODZHSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-4-2-3-11-18(12)16(19)13-5-9-15(10-6-13)22(20,21)17-14-7-8-14/h5-6,9-10,12,14,17H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 18106374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).