4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride

C17H29ClN2O2S — CID 120720862

IUPAC4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CCCNC1.Cl
InChIInChI=1S/C17H28N2O2S.ClH/c1-16(2,3)14-6-8-15(9-7-14)22(20,21)19-13-17(4)10-5-11-18-12-17;/h6-9,18-19H,5,10-13H2,1-4H3;1H
InChIKeyZIWLXTVHKXNHLQ-UHFFFAOYSA-N
MW360.95 g/mol
LogP3.07
Rot. Bonds4

About 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride

4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 120720862) has the molecular formula C17H29ClN2O2S and a molecular weight of 360.95 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
PubChem CID120720862
Molecular FormulaC17H29ClN2O2S
Molecular Weight360.95 g/mol
Exact Mass360.16
IUPAC Name4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CCCNC1.Cl
InChIInChI=1S/C17H28N2O2S.ClH/c1-16(2,3)14-6-8-15(9-7-14)22(20,21)19-13-17(4)10-5-11-18-12-17;/h6-9,18-19H,5,10-13H2,1-4H3;1H
InChIKeyZIWLXTVHKXNHLQ-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.95
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720830
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120720689
4,5-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 120720759
5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720844
2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720825
1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 120720870
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
4-bromo-2-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 116527979
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720680

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride (CID 120720862) is 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CCCNC1.Cl.
What is the InChIKey of 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is ZIWLXTVHKXNHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S.ClH/c1-16(2,3)14-6-8-15(9-7-14)22(20,21)19-13-17(4)10-5-11-18-12-17;/h6-9,18-19H,5,10-13H2,1-4H3;1H.
What are the key properties of 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 360.95 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).