(2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide

C17H21ClN4O3S — CID 67724715

IUPAC(2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide
SMILESC[C@H](NS(=O)(=O)c1cccc2c(Cl)cccc12)C(=O)NN1CCNCC1
InChIInChI=1S/C17H21ClN4O3S/c1-12(17(23)20-22-10-8-19-9-11-22)21-26(24,25)16-7-3-4-13-14(16)5-2-6-15(13)18/h2-7,12,19,21H,8-11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyVPOQLYGGSACVLO-LBPRGKRZSA-N
MW396.90 g/mol
LogP1.10
Rot. Bonds5

About (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide

(2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide (PubChem CID 67724715) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide
PubChem CID67724715
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name(2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide
SMILESC[C@H](NS(=O)(=O)c1cccc2c(Cl)cccc12)C(=O)NN1CCNCC1
InChIInChI=1S/C17H21ClN4O3S/c1-12(17(23)20-22-10-8-19-9-11-22)21-26(24,25)16-7-3-4-13-14(16)5-2-6-15(13)18/h2-7,12,19,21H,8-11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyVPOQLYGGSACVLO-LBPRGKRZSA-N
XLogP1.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide?
The IUPAC name of (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide (CID 67724715) is (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide.
What is the SMILES notation for (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide?
The canonical SMILES for (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide is C[C@H](NS(=O)(=O)c1cccc2c(Cl)cccc12)C(=O)NN1CCNCC1.
What is the InChIKey of (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide?
The InChIKey is VPOQLYGGSACVLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-12(17(23)20-22-10-8-19-9-11-22)21-26(24,25)16-7-3-4-13-14(16)5-2-6-15(13)18/h2-7,12,19,21H,8-11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide?
(2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide has a molecular weight of 396.90 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloronaphthalen-1-yl)sulfonylamino]-N-piperazin-1-ylpropanamide is sourced from PubChem (CID 67724715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).