2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine

C23H26N4O2S — CID 143426554

IUPAC2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1cc(NCC2CCNCC2)ccc1N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H26N4O2S/c24-21-9-8-18(27-15-16-10-12-26-13-11-16)14-20(21)23(25)30(28,29)22-7-3-5-17-4-1-2-6-19(17)22/h1-9,14,16,25-27H,10-13,15,24H2/b25-23+
InChIKeyPSQPTHWAZWYPQV-WJTDDFOZSA-N
MW422.55 g/mol
LogP3.63
Rot. Bonds5

About 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine

2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine (PubChem CID 143426554) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
PubChem CID143426554
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1cc(NCC2CCNCC2)ccc1N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H26N4O2S/c24-21-9-8-18(27-15-16-10-12-26-13-11-16)14-20(21)23(25)30(28,29)22-7-3-5-17-4-1-2-6-19(17)22/h1-9,14,16,25-27H,10-13,15,24H2/b25-23+
InChIKeyPSQPTHWAZWYPQV-WJTDDFOZSA-N
XLogP3.63
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-nitroaniline
CID 143426593
4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 143411833
4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 143411869
4-(1-butylpiperidin-4-yl)oxy-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 89374669
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 89378484
5-(C-naphthalen-1-ylsulfonylcarbonimidoyl)cyclohexa-1,5-diene-1,4-diamine
CID 147140080
2-[C-(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)carbonimidoyl]-4-(1-methylpiperidin-3-yl)oxyaniline
CID 143426556
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242
3-(piperidin-4-ylmethylamino)benzoic acid
CID 79707352
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(pyrrolidin-3-ylmethylamino)benzamide
CID 163231588
2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
CID 63883886
1-[2-amino-5-(thian-4-ylmethylamino)phenyl]ethanone
CID 113487267

Frequently Asked Questions

What is the IUPAC name of 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine (CID 143426554) is 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine is [H]/N=C(\c1cc(NCC2CCNCC2)ccc1N)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine?
The InChIKey is PSQPTHWAZWYPQV-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H26N4O2S/c24-21-9-8-18(27-15-16-10-12-26-13-11-16)14-20(21)23(25)30(28,29)22-7-3-5-17-4-1-2-6-19(17)22/h1-9,14,16,25-27H,10-13,15,24H2/b25-23+.
What are the key properties of 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine?
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine has a molecular weight of 422.55 g/mol, XLogP of 3.63, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 143426554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).