N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H22N2O4S2 — CID 113093539

IUPACN-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S2/c1-20(25(2,21)22)18-10-6-5-9-17(18)19-26(23,24)16-12-11-14-7-3-4-8-15(14)13-16/h5-6,9-13,19H,3-4,7-8H2,1-2H3
InChIKeyQZNQJCUHDAYVLZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.76
Rot. Bonds5

About N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113093539) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113093539
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S2/c1-20(25(2,21)22)18-10-6-5-9-17(18)19-26(23,24)16-12-11-14-7-3-4-8-15(14)13-16/h5-6,9-13,19H,3-4,7-8H2,1-2H3
InChIKeyQZNQJCUHDAYVLZ-UHFFFAOYSA-N
XLogP2.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide
CID 113093547
4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113093542
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
CID 47092045
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26542362
3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
CID 60534328
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26964949
N-(2,3-dihydro-1-benzofuran-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110870916
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113093539) is N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2)S(C)(=O)=O.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is QZNQJCUHDAYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-20(25(2,21)22)18-10-6-5-9-17(18)19-26(23,24)16-12-11-14-7-3-4-8-15(14)13-16/h5-6,9-13,19H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113093539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).