4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide

C16H19N3O4S — CID 146124672

IUPAC4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C(=O)c2cc(O)c3ccccc3c2)CC1
InChIInChI=1S/C16H19N3O4S/c1-17-24(22,23)19-8-6-18(7-9-19)16(21)13-10-12-4-2-3-5-14(12)15(20)11-13/h2-5,10-11,17,20H,6-9H2,1H3
InChIKeyMWXIFGOEVRYEHT-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.77
Rot. Bonds3

About 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide

4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 146124672) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide
PubChem CID146124672
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C(=O)c2cc(O)c3ccccc3c2)CC1
InChIInChI=1S/C16H19N3O4S/c1-17-24(22,23)19-8-6-18(7-9-19)16(21)13-10-12-4-2-3-5-14(12)15(20)11-13/h2-5,10-11,17,20H,6-9H2,1H3
InChIKeyMWXIFGOEVRYEHT-UHFFFAOYSA-N
XLogP0.77
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 82372380
4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138997186
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 108570154
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 30102573
N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
CID 110632659
2-chloro-1-(4-hydroxynaphthalen-2-yl)ethanone
CID 131852255
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
CID 27654
(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 33240685
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
CID 103908474

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide (CID 146124672) is 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide is CNS(=O)(=O)N1CCN(C(=O)c2cc(O)c3ccccc3c2)CC1.
What is the InChIKey of 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is MWXIFGOEVRYEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-17-24(22,23)19-8-6-18(7-9-19)16(21)13-10-12-4-2-3-5-14(12)15(20)11-13/h2-5,10-11,17,20H,6-9H2,1H3.
What are the key properties of 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide?
4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxynaphthalene-2-carbonyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 146124672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).