N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C17H26N2O3S — CID 18105340

IUPACN-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C1
InChIInChI=1S/C17H26N2O3S/c1-13-6-5-11-19(12-13)16(20)14-7-9-15(10-8-14)23(21,22)18-17(2,3)4/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyPLQISTIZPOHFFX-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.64
Rot. Bonds3

About N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 18105340) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID18105340
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C1
InChIInChI=1S/C17H26N2O3S/c1-13-6-5-11-19(12-13)16(20)14-7-9-15(10-8-14)23(21,22)18-17(2,3)4/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyPLQISTIZPOHFFX-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(tert-butylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 119113729
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
CID 109060714
N-tert-butyl-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 119539094
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-tert-butylbenzenesulfonamide
CID 119631538
N-tert-butyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120997534
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527
(2S)-1-[4-(tert-butylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119364995
N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061537
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
1-[4-[4-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 109060483
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 18105340) is N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C1.
What is the InChIKey of N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is PLQISTIZPOHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-6-5-11-19(12-13)16(20)14-7-9-15(10-8-14)23(21,22)18-17(2,3)4/h7-10,13,18H,5-6,11-12H2,1-4H3.
What are the key properties of N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 18105340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).