2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide

C16H14Cl2N2O4S — CID 11463748

IUPAC2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide
SMILESCC1(C)OC(=O)Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C16H14Cl2N2O4S/c1-16(2)10-8-9(6-7-12(10)19-15(21)24-16)20-25(22,23)13-5-3-4-11(17)14(13)18/h3-8,20H,1-2H3,(H,19,21)
InChIKeyBWPFUVIVXUVJJA-UHFFFAOYSA-N
MW401.27 g/mol
LogP4.59
Rot. Bonds3

About 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide

2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide (PubChem CID 11463748) has the molecular formula C16H14Cl2N2O4S and a molecular weight of 401.27 g/mol. Its IUPAC name is 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide
PubChem CID11463748
Molecular FormulaC16H14Cl2N2O4S
Molecular Weight401.27 g/mol
Exact Mass400.01
IUPAC Name2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide
SMILESCC1(C)OC(=O)Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C16H14Cl2N2O4S/c1-16(2)10-8-9(6-7-12(10)19-15(21)24-16)20-25(22,23)13-5-3-4-11(17)14(13)18/h3-8,20H,1-2H3,(H,19,21)
InChIKeyBWPFUVIVXUVJJA-UHFFFAOYSA-N
XLogP4.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)benzenesulfonamide
CID 40957291
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 176656736
5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
CID 110405814
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 8841662
N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide
CID 19782287
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide
CID 174552416
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide (CID 11463748) is 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide is CC1(C)OC(=O)Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc21.
What is the InChIKey of 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide?
The InChIKey is BWPFUVIVXUVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4S/c1-16(2)10-8-9(6-7-12(10)19-15(21)24-16)20-25(22,23)13-5-3-4-11(17)14(13)18/h3-8,20H,1-2H3,(H,19,21).
What are the key properties of 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide?
2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide has a molecular weight of 401.27 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 11463748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).