N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide

C29H32N2O2S — CID 10005032

IUPACN-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1CCC(CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C29H32N2O2S/c32-34(33,29-16-15-26-6-2-4-8-28(26)18-29)31-21-23-11-9-22(10-12-23)19-30-20-24-13-14-25-5-1-3-7-27(25)17-24/h1-8,13-18,22-23,30-31H,9-12,19-21H2
InChIKeyRAXITVOBPBHKDQ-UHFFFAOYSA-N
MW472.65 g/mol
LogP5.87
Rot. Bonds8

About N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide

N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide (PubChem CID 10005032) has the molecular formula C29H32N2O2S and a molecular weight of 472.65 g/mol. Its IUPAC name is N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide
PubChem CID10005032
Molecular FormulaC29H32N2O2S
Molecular Weight472.65 g/mol
Exact Mass472.22
IUPAC NameN-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1CCC(CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C29H32N2O2S/c32-34(33,29-16-15-26-6-2-4-8-28(26)18-29)31-21-23-11-9-22(10-12-23)19-30-20-24-13-14-25-5-1-3-7-27(25)17-24/h1-8,13-18,22-23,30-31H,9-12,19-21H2
InChIKeyRAXITVOBPBHKDQ-UHFFFAOYSA-N
XLogP5.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide with MolForge

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Related Compounds

4-{2-[(Naphthalen-1-ylmethyl)amino]ethyl}benzenesulfonamide
CID 4718107
Naphthalene-2-sulfonic acid (4-{[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-amide
CID 9806472
N-(2-((3-(4-(aminomethyl)phenyl)propyl)(methyl)amino)ethyl)naphthalene-2-sulfonamide
CID 10112313
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)naphthalene-2-sulfonamide
CID 10294248
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-2-sulfonamide
CID 11610908
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]naphthalene-2-sulfonamide
CID 21091965
N-(4-{[(Naphthalen-1-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-2-trifluoromethyl-benzenesulfonamide
CID 21336503
N-(4-{[(Naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-2-trifluoromethyl-benzenesulfonamide
CID 21336507
Naphthalene-1-sulfonic acid (4-{[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-amide
CID 21336511
Naphthalene-2-sulfonic acid [3-(4-benzyl-piperazin-1-yl)-propyl]-amide
CID 36418162
N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]naphthalene-2-sulfonamide
CID 42428409
[1-(Naphthalene-1-sulfonyl)-piperidin-4-ylmethyl]-naphthalen-2-ylmethyl-amine
CID 44271556

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide (CID 10005032) is N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide is O=S(=O)(NCC1CCC(CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide?
The InChIKey is RAXITVOBPBHKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2S/c32-34(33,29-16-15-26-6-2-4-8-28(26)18-29)31-21-23-11-9-22(10-12-23)19-30-20-24-13-14-25-5-1-3-7-27(25)17-24/h1-8,13-18,22-23,30-31H,9-12,19-21H2.
What are the key properties of N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide?
N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide has a molecular weight of 472.65 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10005032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).