N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide

C20H27ClN4O2S — CID 69076640

IUPACN-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1N1CCN(C[C@H](N)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H27ClN4O2S/c1-28(26,27)23-19-4-2-3-5-20(19)25-12-10-24(11-13-25)15-18(22)14-16-6-8-17(21)9-7-16/h2-9,18,23H,10-15,22H2,1H3/t18-/m1/s1
InChIKeyALJALAPVESYWLS-GOSISDBHSA-N
MW422.98 g/mol
LogP2.40
Rot. Bonds7

About N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide

N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide (PubChem CID 69076640) has the molecular formula C20H27ClN4O2S and a molecular weight of 422.98 g/mol. Its IUPAC name is N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide
PubChem CID69076640
Molecular FormulaC20H27ClN4O2S
Molecular Weight422.98 g/mol
Exact Mass422.15
IUPAC NameN-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1N1CCN(C[C@H](N)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H27ClN4O2S/c1-28(26,27)23-19-4-2-3-5-20(19)25-12-10-24(11-13-25)15-18(22)14-16-6-8-17(21)9-7-16/h2-9,18,23H,10-15,22H2,1H3/t18-/m1/s1
InChIKeyALJALAPVESYWLS-GOSISDBHSA-N
XLogP2.40
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 10281832
2-amino-N-[3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 21060102
N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 10304327
N-[2-[4-[(2R)-3-(4-chlorophenyl)-2-[[4-(dimethylamino)phenyl]methylamino]propanoyl]piperazin-1-yl]phenyl]methanesulfonamide;molecular hydrogen
CID 158870377
N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide
CID 58733025
N-[2-[4-[(2R)-3-(4-chlorophenyl)-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methylamino]propanoyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 58714315
1-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-(piperidin-4-ylmethyl)urea
CID 21060081
(3R)-3-[[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 69073805
N-[2-[4-[(2R)-3-(4-chlorophenyl)-2-[(piperidin-4-ylmethylamino)methylamino]propanoyl]piperazin-1-yl]phenyl]methanesulfonamide;methane;molecular hydrogen
CID 162106609
(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 70121693
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(2-methylsulfonylphenyl)piperazin-1-yl]propan-1-one
CID 58996760
tert-butyl (3S)-3-[[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 69075325

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide (CID 69076640) is N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1N1CCN(C[C@H](N)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide?
The InChIKey is ALJALAPVESYWLS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27ClN4O2S/c1-28(26,27)23-19-4-2-3-5-20(19)25-12-10-24(11-13-25)15-18(22)14-16-6-8-17(21)9-7-16/h2-9,18,23H,10-15,22H2,1H3/t18-/m1/s1.
What are the key properties of N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide?
N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide has a molecular weight of 422.98 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2R)-2-amino-3-(4-chlorophenyl)propyl]piperazin-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 69076640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).