N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide

C22H24ClN3O2S — CID 10162035

IUPACN-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide
SMILESC[C@@H]1CN(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)c3ccccc23)C[C@H](C)N1
InChIInChI=1S/C22H24ClN3O2S/c1-15-13-26(14-16(2)24-15)21-10-11-22(20-9-4-3-8-19(20)21)29(27,28)25-18-7-5-6-17(23)12-18/h3-12,15-16,24-25H,13-14H2,1-2H3/t15-,16+
InChIKeyZAMNPQKOUMEFLT-IYBDPMFKSA-N
MW429.97 g/mol
LogP4.48
Rot. Bonds4

About N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide

N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide (PubChem CID 10162035) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide
PubChem CID10162035
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC NameN-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide
SMILESC[C@@H]1CN(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)c3ccccc23)C[C@H](C)N1
InChIInChI=1S/C22H24ClN3O2S/c1-15-13-26(14-16(2)24-15)21-10-11-22(20-9-4-3-8-19(20)21)29(27,28)25-18-7-5-6-17(23)12-18/h3-12,15-16,24-25H,13-14H2,1-2H3/t15-,16+
InChIKeyZAMNPQKOUMEFLT-IYBDPMFKSA-N
XLogP4.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide (CID 10162035) is N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide is C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)c3ccccc23)C[C@H](C)N1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide?
The InChIKey is ZAMNPQKOUMEFLT-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-15-13-26(14-16(2)24-15)21-10-11-22(20-9-4-3-8-19(20)21)29(27,28)25-18-7-5-6-17(23)12-18/h3-12,15-16,24-25H,13-14H2,1-2H3/t15-,16+.
What are the key properties of N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide?
N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide has a molecular weight of 429.97 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10162035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).