CID 15946824

C20H28NO3S2 — CID 15946824

IUPAC—
SMILESCc1ccc(S(=O)(=O)N[C@@H]([C]2[CH][CH][CH][C]2[S@@](=O)C(C)(C)C)C(C)C)cc1
InChIInChI=1S/C20H28NO3S2/c1-14(2)19(17-8-7-9-18(17)25(22)20(4,5)6)21-26(23,24)16-12-10-15(3)11-13-16/h7-14,19,21H,1-6H3/t19-,25-/m1/s1
InChIKeySXBVFPOOCGZPDE-KBMIEXCESA-N
MW394.58 g/mol
LogP3.58
Rot. Bonds6

About CID 15946824

CID 15946824 (PubChem CID 15946824) has the molecular formula C20H28NO3S2 and a molecular weight of 394.58 g/mol.

Molecular Properties

Compound NameCID 15946824
PubChem CID15946824
Molecular FormulaC20H28NO3S2
Molecular Weight394.58 g/mol
Exact Mass394.15
IUPAC Name—
SMILESCc1ccc(S(=O)(=O)N[C@@H]([C]2[CH][CH][CH][C]2[S@@](=O)C(C)(C)C)C(C)C)cc1
InChIInChI=1S/C20H28NO3S2/c1-14(2)19(17-8-7-9-18(17)25(22)20(4,5)6)21-26(23,24)16-12-10-15(3)11-13-16/h7-14,19,21H,1-6H3/t19-,25-/m1/s1
InChIKeySXBVFPOOCGZPDE-KBMIEXCESA-N
XLogP3.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 15946824 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

CID 15946820
CID 15946820
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-methyl-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 102415815
CID 11354333
CID 11354333
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
4-methyl-N-[(1R,2R)-2-methyl-1-(4-methylphenyl)but-3-enyl]benzenesulfonamide
CID 100938085
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 106357500
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874

Frequently Asked Questions

What is the IUPAC name of CID 15946824?
The IUPAC name of CID 15946824 (CID 15946824) is not available.
What is the SMILES notation for CID 15946824?
The canonical SMILES for CID 15946824 is Cc1ccc(S(=O)(=O)N[C@@H]([C]2[CH][CH][CH][C]2[S@@](=O)C(C)(C)C)C(C)C)cc1.
What is the InChIKey of CID 15946824?
The InChIKey is SXBVFPOOCGZPDE-KBMIEXCESA-N. The full InChI is InChI=1S/C20H28NO3S2/c1-14(2)19(17-8-7-9-18(17)25(22)20(4,5)6)21-26(23,24)16-12-10-15(3)11-13-16/h7-14,19,21H,1-6H3/t19-,25-/m1/s1.
What are the key properties of CID 15946824?
CID 15946824 has a molecular weight of 394.58 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15946824 is sourced from PubChem (CID 15946824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).