N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide

C16H25NO5S2 — CID 7260493

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C16H25NO5S2/c1-12(2)10-17(14-7-8-23(18,19)11-14)24(20,21)15-5-6-16(22-4)13(3)9-15/h5-6,9,12,14H,7-8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyPBASPLQKDNNZAX-AWEZNQCLSA-N
MW375.51 g/mol
LogP1.84
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 7260493) has the molecular formula C16H25NO5S2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID7260493
Molecular FormulaC16H25NO5S2
Molecular Weight375.51 g/mol
Exact Mass375.12
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C16H25NO5S2/c1-12(2)10-17(14-7-8-23(18,19)11-14)24(20,21)15-5-6-16(22-4)13(3)9-15/h5-6,9,12,14H,7-8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyPBASPLQKDNNZAX-AWEZNQCLSA-N
XLogP1.84
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide with MolForge

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Related Compounds

1-(4-Methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
CID 850045
3-(Benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 4174260
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-3,4-dimethoxy-N-(2-methylpropyl)benzene-1-sulfonamide
CID 16270077
3-[(4-Methoxy-3-methylphenyl)sulfonyl]-2-methyl-1,3-thiazolidine
CID 5153059
3-[(4-Methoxy-3-methylphenyl)sulfonyl]-1,3-thiazolidine
CID 1236387
N-butyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methoxybenzene-1-sulfonamide
CID 16268813
N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 849958
1-((4-Methoxy-3-methylphenyl)sulfonyl)piperidine
CID 847007
N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2810891
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methoxy-N-(2-methylpropyl)benzene-1-sulfonamide
CID 16268818
1-((4-Methoxy-3-methylphenyl)sulfonyl)-4-(methylsulfonyl)piperidine
CID 71805719
1,4-Bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 7260493) is N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is PBASPLQKDNNZAX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO5S2/c1-12(2)10-17(14-7-8-23(18,19)11-14)24(20,21)15-5-6-16(22-4)13(3)9-15/h5-6,9,12,14H,7-8,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 375.51 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-3-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 7260493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).