N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide

C24H29N3O2S — CID 46866711

IUPACN-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide
SMILESCC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C24H29N3O2S/c1-19(2)27(22-11-7-10-21(18-22)26-16-14-25(3)15-17-26)30(28,29)24-13-6-9-20-8-4-5-12-23(20)24/h4-13,18-19H,14-17H2,1-3H3
InChIKeyVJSKWISJKOVRKJ-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.20
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide

N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide (PubChem CID 46866711) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide
PubChem CID46866711
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide
SMILESCC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C24H29N3O2S/c1-19(2)27(22-11-7-10-21(18-22)26-16-14-25(3)15-17-26)30(28,29)24-13-6-9-20-8-4-5-12-23(20)24/h4-13,18-19H,14-17H2,1-3H3
InChIKeyVJSKWISJKOVRKJ-UHFFFAOYSA-N
XLogP4.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fananserin
CID 60785
2-[3-(4-Phenyl-1,2,3,6-tetrahydro-1-pyridyl)propyl]naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580027
2-[3-(4-Phenyl-piperidin-1-yl)-propyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580033
Pyrrolidine, 1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CID 738896
6-(Dimethylamino)-3-phenyl-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7a)
CID 126842699
3-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 15710740
1-Methoxy-4-(4-naphthalen-1-ylsulfonylphenyl)piperazine
CID 44398571
N-(Cyclohexylmethyl)-N-(3-(4-phenylpiperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232622
N-(Cyclohexylmethyl)-N-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232653
1-[(3,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 786037
1-(2-Methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine
CID 6468408
1,5,9-Triazacyclododecane, 9-(cyclohexylmethyl)-1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-3-methylene-5-[(4-methylphenyl)sulfonyl]-
CID 11498413

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide (CID 46866711) is N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide is CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide?
The InChIKey is VJSKWISJKOVRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-19(2)27(22-11-7-10-21(18-22)26-16-14-25(3)15-17-26)30(28,29)24-13-6-9-20-8-4-5-12-23(20)24/h4-13,18-19H,14-17H2,1-3H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide?
N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide has a molecular weight of 423.58 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propan-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 46866711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).