N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride

C19H24ClN3O3S — CID 119487809

IUPACN-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-20-17-9-6-12-22(14-17)19(23)15-7-5-8-16(13-15)21-26(24,25)18-10-3-2-4-11-18;/h2-5,7-8,10-11,13,17,20-21H,6,9,12,14H2,1H3;1H
InChIKeyBTFUHVXYJGZJLN-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.73
Rot. Bonds5

About N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride

N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride (PubChem CID 119487809) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
PubChem CID119487809
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-20-17-9-6-12-22(14-17)19(23)15-7-5-8-16(13-15)21-26(24,25)18-10-3-2-4-11-18;/h2-5,7-8,10-11,13,17,20-21H,6,9,12,14H2,1H3;1H
InChIKeyBTFUHVXYJGZJLN-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 18160418
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride (CID 119487809) is N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride is CNC1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1.Cl.
What is the InChIKey of N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride?
The InChIKey is BTFUHVXYJGZJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c1-20-17-9-6-12-22(14-17)19(23)15-7-5-8-16(13-15)21-26(24,25)18-10-3-2-4-11-18;/h2-5,7-8,10-11,13,17,20-21H,6,9,12,14H2,1H3;1H.
What are the key properties of N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride?
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119487809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).