CID 15946820

C18H24NO3S2 — CID 15946820

IUPAC—
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)[C]2[CH][CH][CH][C]2[S@@](=O)C(C)(C)C)cc1
InChIInChI=1S/C18H24NO3S2/c1-13-9-11-15(12-10-13)24(21,22)19-14(2)16-7-6-8-17(16)23(20)18(3,4)5/h6-12,14,19H,1-5H3/t14-,23+/m0/s1
InChIKeyYLYWTWSVPSMQFZ-LFVRLGFBSA-N
MW366.53 g/mol
LogP2.94
Rot. Bonds5

About CID 15946820

CID 15946820 (PubChem CID 15946820) has the molecular formula C18H24NO3S2 and a molecular weight of 366.53 g/mol.

Molecular Properties

Compound NameCID 15946820
PubChem CID15946820
Molecular FormulaC18H24NO3S2
Molecular Weight366.53 g/mol
Exact Mass366.12
IUPAC Name—
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)[C]2[CH][CH][CH][C]2[S@@](=O)C(C)(C)C)cc1
InChIInChI=1S/C18H24NO3S2/c1-13-9-11-15(12-10-13)24(21,22)19-14(2)16-7-6-8-17(16)23(20)18(3,4)5/h6-12,14,19H,1-5H3/t14-,23+/m0/s1
InChIKeyYLYWTWSVPSMQFZ-LFVRLGFBSA-N
XLogP2.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 15946824
CID 15946824
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
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CID 102415815
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
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4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
N-[1-(4-methylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 19680825
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874

Frequently Asked Questions

What is the IUPAC name of CID 15946820?
The IUPAC name of CID 15946820 (CID 15946820) is not available.
What is the SMILES notation for CID 15946820?
The canonical SMILES for CID 15946820 is Cc1ccc(S(=O)(=O)N[C@@H](C)[C]2[CH][CH][CH][C]2[S@@](=O)C(C)(C)C)cc1.
What is the InChIKey of CID 15946820?
The InChIKey is YLYWTWSVPSMQFZ-LFVRLGFBSA-N. The full InChI is InChI=1S/C18H24NO3S2/c1-13-9-11-15(12-10-13)24(21,22)19-14(2)16-7-6-8-17(16)23(20)18(3,4)5/h6-12,14,19H,1-5H3/t14-,23+/m0/s1.
What are the key properties of CID 15946820?
CID 15946820 has a molecular weight of 366.53 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15946820 is sourced from PubChem (CID 15946820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).