4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride

C17H29ClN2O2S — CID 120720830

IUPAC4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCC2(C)CCCNC2)cc1.Cl
InChIInChI=1S/C17H28N2O2S.ClH/c1-4-14(2)15-6-8-16(9-7-15)22(20,21)19-13-17(3)10-5-11-18-12-17;/h6-9,14,18-19H,4-5,10-13H2,1-3H3;1H
InChIKeyHIVLNUXMXINLCH-UHFFFAOYSA-N
MW360.95 g/mol
LogP3.29
Rot. Bonds6

About 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride

4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 120720830) has the molecular formula C17H29ClN2O2S and a molecular weight of 360.95 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
PubChem CID120720830
Molecular FormulaC17H29ClN2O2S
Molecular Weight360.95 g/mol
Exact Mass360.16
IUPAC Name4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)NCC2(C)CCCNC2)cc1.Cl
InChIInChI=1S/C17H28N2O2S.ClH/c1-4-14(2)15-6-8-16(9-7-15)22(20,21)19-13-17(3)10-5-11-18-12-17;/h6-9,14,18-19H,4-5,10-13H2,1-3H3;1H
InChIKeyHIVLNUXMXINLCH-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.95
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120720689
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
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
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008
N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720680
2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720825
3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720872

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride (CID 120720830) is 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride is CCC(C)c1ccc(S(=O)(=O)NCC2(C)CCCNC2)cc1.Cl.
What is the InChIKey of 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is HIVLNUXMXINLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S.ClH/c1-4-14(2)15-6-8-16(9-7-15)22(20,21)19-13-17(3)10-5-11-18-12-17;/h6-9,14,18-19H,4-5,10-13H2,1-3H3;1H.
What are the key properties of 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 360.95 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).