N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide

C15H22FNO4S2 — CID 43047631

IUPACN-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(CC(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H22FNO4S2/c1-11(2)9-17(14-6-7-22(18,19)10-14)23(20,21)15-5-4-13(16)8-12(15)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3
InChIKeyCVLSJUGXMQCASX-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.97
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43047631) has the molecular formula C15H22FNO4S2 and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43047631
Molecular FormulaC15H22FNO4S2
Molecular Weight363.48 g/mol
Exact Mass363.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(CC(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H22FNO4S2/c1-11(2)9-17(14-6-7-22(18,19)10-14)23(20,21)15-5-4-13(16)8-12(15)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3
InChIKeyCVLSJUGXMQCASX-UHFFFAOYSA-N
XLogP1.97
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55537846
N-(1,1-dioxothiolan-3-yl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 47190070
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-phenylbenzenesulfonamide
CID 39978103
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 97185751
4-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methylpropyl)benzene-1,4-disulfonamide
CID 18287287
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 7260423
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 42999407
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129370557
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6600832
5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 25481244
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112994308
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,4-trimethylbenzenesulfonamide
CID 129370634

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 43047631) is N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(CC(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is CVLSJUGXMQCASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4S2/c1-11(2)9-17(14-6-7-22(18,19)10-14)23(20,21)15-5-4-13(16)8-12(15)3/h4-5,8,11,14H,6-7,9-10H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-fluoro-2-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43047631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).