N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide

C18H19NO4S2 — CID 27307815

IUPACN-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide
SMILESCc1cc(C)cc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO4S2/c1-14-10-15(2)12-17(11-14)19(16-8-9-24(20,21)13-16)25(22,23)18-6-4-3-5-7-18/h3-12,16H,13H2,1-2H3/t16-/m0/s1
InChIKeyUVFWGEYPTNBTRV-INIZCTEOSA-N
MW377.49 g/mol
LogP2.81
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide

N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide (PubChem CID 27307815) has the molecular formula C18H19NO4S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide
PubChem CID27307815
Molecular FormulaC18H19NO4S2
Molecular Weight377.49 g/mol
Exact Mass377.08
IUPAC NameN-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide
SMILESCc1cc(C)cc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO4S2/c1-14-10-15(2)12-17(11-14)19(16-8-9-24(20,21)13-16)25(22,23)18-6-4-3-5-7-18/h3-12,16H,13H2,1-2H3/t16-/m0/s1
InChIKeyUVFWGEYPTNBTRV-INIZCTEOSA-N
XLogP2.81
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide
CID 4628212
4-chloro-N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzenesulfonamide
CID 18866905
5-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-phenylbenzenesulfonamide
CID 129400571
N-(2,3-dichlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzenesulfonamide
CID 21237300
4-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 40817585
4-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 40817586
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)nitrous amide
CID 21206467
2-bromo-N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 41236056
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylnitrous amide
CID 7360469
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-(3,5-dimethylphenyl)-N-[(1R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 154926483
[2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535771

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide (CID 27307815) is N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide is Cc1cc(C)cc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide?
The InChIKey is UVFWGEYPTNBTRV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO4S2/c1-14-10-15(2)12-17(11-14)19(16-8-9-24(20,21)13-16)25(22,23)18-6-4-3-5-7-18/h3-12,16H,13H2,1-2H3/t16-/m0/s1.
What are the key properties of N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide?
N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 27307815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).