3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide

C12H17Cl2NO2S — CID 25042571

IUPAC3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C
InChIInChI=1S/C12H17Cl2NO2S/c1-8(12(2,3)4)15-18(16,17)11-6-9(13)5-10(14)7-11/h5-8,15H,1-4H3
InChIKeyNBTYGNNOWZVEIX-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.71
Rot. Bonds3

About 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide

3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 25042571) has the molecular formula C12H17Cl2NO2S and a molecular weight of 310.25 g/mol. Its IUPAC name is 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID25042571
Molecular FormulaC12H17Cl2NO2S
Molecular Weight310.25 g/mol
Exact Mass309.04
IUPAC Name3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C
InChIInChI=1S/C12H17Cl2NO2S/c1-8(12(2,3)4)15-18(16,17)11-6-9(13)5-10(14)7-11/h5-8,15H,1-4H3
InChIKeyNBTYGNNOWZVEIX-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-chloro-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 104827361
2,5-dichloro-3-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827579
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
CID 74224289
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluorobenzenesulfonamide
CID 104827294
2-chloro-4-(3,3-dimethylbutan-2-ylsulfamoyl)benzenecarbothioamide
CID 104828407
2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 134100923
4-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827566
1,4-dichloro-N-[(2S)-3,3-dimethylbutan-2-yl]isoquinoline-7-sulfonamide
CID 54332135
4-chloro-N-(3,3-dimethylbutan-2-yl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106079126
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide (CID 25042571) is 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C.
What is the InChIKey of 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is NBTYGNNOWZVEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2S/c1-8(12(2,3)4)15-18(16,17)11-6-9(13)5-10(14)7-11/h5-8,15H,1-4H3.
What are the key properties of 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 310.25 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 25042571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).